(3R)-1-[2-[[(1S)-2-[4-(3-methoxyphenyl)phenyl]cyclopropyl]amino]ethyl]pyrrolidin-3-amine

C22H29N3O — CID 70959568

IUPAC(3R)-1-[2-[[(1S)-2-[4-(3-methoxyphenyl)phenyl]cyclopropyl]amino]ethyl]pyrrolidin-3-amine
SMILESCOc1cccc(-c2ccc(C3C[C@@H]3NCCN3CC[C@@H](N)C3)cc2)c1
InChIInChI=1S/C22H29N3O/c1-26-20-4-2-3-18(13-20)16-5-7-17(8-6-16)21-14-22(21)24-10-12-25-11-9-19(23)15-25/h2-8,13,19,21-22,24H,9-12,14-15,23H2,1H3/t19-,21?,22+/m1/s1
InChIKeyVJXLAAQFANGKTA-QOMKKIOMSA-N
MW351.49 g/mol
LogP2.84
Rot. Bonds7

About (3R)-1-[2-[[(1S)-2-[4-(3-methoxyphenyl)phenyl]cyclopropyl]amino]ethyl]pyrrolidin-3-amine

(3R)-1-[2-[[(1S)-2-[4-(3-methoxyphenyl)phenyl]cyclopropyl]amino]ethyl]pyrrolidin-3-amine (PubChem CID 70959568) has the molecular formula C22H29N3O and a molecular weight of 351.49 g/mol. Its IUPAC name is (3R)-1-[2-[[(1S)-2-[4-(3-methoxyphenyl)phenyl]cyclopropyl]amino]ethyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name(3R)-1-[2-[[(1S)-2-[4-(3-methoxyphenyl)phenyl]cyclopropyl]amino]ethyl]pyrrolidin-3-amine
PubChem CID70959568
Molecular FormulaC22H29N3O
Molecular Weight351.49 g/mol
Exact Mass351.23
IUPAC Name(3R)-1-[2-[[(1S)-2-[4-(3-methoxyphenyl)phenyl]cyclopropyl]amino]ethyl]pyrrolidin-3-amine
SMILESCOc1cccc(-c2ccc(C3C[C@@H]3NCCN3CC[C@@H](N)C3)cc2)c1
InChIInChI=1S/C22H29N3O/c1-26-20-4-2-3-18(13-20)16-5-7-17(8-6-16)21-14-22(21)24-10-12-25-11-9-19(23)15-25/h2-8,13,19,21-22,24H,9-12,14-15,23H2,1H3/t19-,21?,22+/m1/s1
InChIKeyVJXLAAQFANGKTA-QOMKKIOMSA-N
XLogP2.84
TPSA50.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[[2-[6-(3-methoxyphenyl)-3-pyridinyl]cyclopropyl]amino]ethyl]pyrrolidin-3-amine
CID 67064892
(3S)-1-[2-[[(1R,2S)-2-[4-[3-(trifluoromethyl)phenyl]phenyl]cyclopropyl]amino]ethyl]pyrrolidin-3-amine
CID 51034903
(3R)-1-[2-[[(1S)-2-[4-(3,5-dichlorophenyl)phenyl]cyclopropyl]amino]ethyl]pyrrolidin-3-amine;hydrochloride
CID 162304750
(3R)-1-[2-[[(1S)-2-phenylcyclopropyl]amino]ethyl]pyrrolidin-3-amine;dihydrochloride
CID 162322096
(3R)-1-[2-[[(1R,2S)-2-[4-phenyl-2-(trifluoromethyl)phenyl]cyclopropyl]amino]ethyl]pyrrolidin-3-amine
CID 67397899
1-[2-[[2-[4-phenyl-2-(trifluoromethyl)phenyl]cyclopropyl]amino]ethyl]pyrrolidin-3-amine
CID 67064883
(3S)-1-[2-[[(1R,2S)-2-[4-phenyl-2-(trifluoromethyl)phenyl]cyclopropyl]amino]ethyl]pyrrolidin-3-amine
CID 67064941
1-[2-[[2-(3-phenyl-4-phenylmethoxyphenyl)cyclopropyl]amino]ethyl]pyrrolidin-3-amine;dihydrochloride
CID 77219986
(3R)-1-[2-[[(1R,2S)-2-[4-[(4-bromophenyl)methoxy]phenyl]cyclopropyl]amino]ethyl]pyrrolidin-3-amine;hydrochloride
CID 67064814
1-[2-[[(1R,2S)-2-[6-(4-chlorophenyl)-3-pyridinyl]cyclopropyl]amino]ethyl]pyrrolidin-3-amine
CID 67064903
1-[2-(3-methoxyphenyl)ethyl]pyrrolidin-3-amine
CID 82158725
(3R)-1-[2-[[(1R,2S)-2-[2-[3-(trifluoromethyl)phenyl]phenyl]cyclopropyl]amino]ethyl]pyrrolidin-3-amine
CID 126485682

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[2-[[(1S)-2-[4-(3-methoxyphenyl)phenyl]cyclopropyl]amino]ethyl]pyrrolidin-3-amine?
The IUPAC name of (3R)-1-[2-[[(1S)-2-[4-(3-methoxyphenyl)phenyl]cyclopropyl]amino]ethyl]pyrrolidin-3-amine (CID 70959568) is (3R)-1-[2-[[(1S)-2-[4-(3-methoxyphenyl)phenyl]cyclopropyl]amino]ethyl]pyrrolidin-3-amine.
What is the SMILES notation for (3R)-1-[2-[[(1S)-2-[4-(3-methoxyphenyl)phenyl]cyclopropyl]amino]ethyl]pyrrolidin-3-amine?
The canonical SMILES for (3R)-1-[2-[[(1S)-2-[4-(3-methoxyphenyl)phenyl]cyclopropyl]amino]ethyl]pyrrolidin-3-amine is COc1cccc(-c2ccc(C3C[C@@H]3NCCN3CC[C@@H](N)C3)cc2)c1.
What is the InChIKey of (3R)-1-[2-[[(1S)-2-[4-(3-methoxyphenyl)phenyl]cyclopropyl]amino]ethyl]pyrrolidin-3-amine?
The InChIKey is VJXLAAQFANGKTA-QOMKKIOMSA-N. The full InChI is InChI=1S/C22H29N3O/c1-26-20-4-2-3-18(13-20)16-5-7-17(8-6-16)21-14-22(21)24-10-12-25-11-9-19(23)15-25/h2-8,13,19,21-22,24H,9-12,14-15,23H2,1H3/t19-,21?,22+/m1/s1.
What are the key properties of (3R)-1-[2-[[(1S)-2-[4-(3-methoxyphenyl)phenyl]cyclopropyl]amino]ethyl]pyrrolidin-3-amine?
(3R)-1-[2-[[(1S)-2-[4-(3-methoxyphenyl)phenyl]cyclopropyl]amino]ethyl]pyrrolidin-3-amine has a molecular weight of 351.49 g/mol, XLogP of 2.84, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[2-[[(1S)-2-[4-(3-methoxyphenyl)phenyl]cyclopropyl]amino]ethyl]pyrrolidin-3-amine is sourced from PubChem (CID 70959568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).