(3S,4R)-1-[(1-methylcyclobutyl)methyl]-4-phenylpyrrolidin-3-amine

C16H24N2 — CID 120846833

IUPAC(3S,4R)-1-[(1-methylcyclobutyl)methyl]-4-phenylpyrrolidin-3-amine
SMILESCC1(CN2C[C@@H](N)[C@H](c3ccccc3)C2)CCC1
InChIInChI=1S/C16H24N2/c1-16(8-5-9-16)12-18-10-14(15(17)11-18)13-6-3-2-4-7-13/h2-4,6-7,14-15H,5,8-12,17H2,1H3/t14-,15+/m0/s1
InChIKeyFMZMVDVWIPNUDA-LSDHHAIUSA-N
MW244.38 g/mol
LogP2.60
Rot. Bonds3

About (3S,4R)-1-[(1-methylcyclobutyl)methyl]-4-phenylpyrrolidin-3-amine

(3S,4R)-1-[(1-methylcyclobutyl)methyl]-4-phenylpyrrolidin-3-amine (PubChem CID 120846833) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is (3S,4R)-1-[(1-methylcyclobutyl)methyl]-4-phenylpyrrolidin-3-amine.

Molecular Properties

Compound Name(3S,4R)-1-[(1-methylcyclobutyl)methyl]-4-phenylpyrrolidin-3-amine
PubChem CID120846833
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC Name(3S,4R)-1-[(1-methylcyclobutyl)methyl]-4-phenylpyrrolidin-3-amine
SMILESCC1(CN2C[C@@H](N)[C@H](c3ccccc3)C2)CCC1
InChIInChI=1S/C16H24N2/c1-16(8-5-9-16)12-18-10-14(15(17)11-18)13-6-3-2-4-7-13/h2-4,6-7,14-15H,5,8-12,17H2,1H3/t14-,15+/m0/s1
InChIKeyFMZMVDVWIPNUDA-LSDHHAIUSA-N
XLogP2.60
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S,4R)-1-(2,2-dimethylpropyl)-4-phenylpyrrolidin-3-amine;hydrochloride
CID 120769959
(3R,4S)-1-(2-fluoroethyl)-4-phenylpyrrolidin-3-amine
CID 122424567
(3S,4R)-1-(2-methoxyethyl)-4-phenylpyrrolidin-3-amine
CID 89188602
1-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-2-methylpropan-2-ol
CID 120761553
2-(3-amino-4-phenylpyrrolidin-1-yl)acetonitrile
CID 118128434
(3R,4S)-1-(2-fluoroethyl)-4-phenylpyrrolidin-3-amine;hydrochloride
CID 122424566
1-[(2S)-2-methoxypropyl]-4-phenylpyrrolidin-3-amine
CID 89188709
(3S,4R)-1-[(2S)-2-methoxypropyl]-4-phenylpyrrolidin-3-amine
CID 89188707
(3R,4S)-1-(3-methoxypropyl)-4-phenylpyrrolidin-3-amine
CID 86283678
(3S,4R)-1-[2-(2-ethoxyphenoxy)ethyl]-4-phenylpyrrolidin-3-amine;hydrochloride
CID 120760721
1-[(1-methylcyclopentyl)methyl]azetidin-3-amine
CID 130577986
(3S,4R)-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]-4-phenylpyrrolidin-3-amine;dihydrochloride
CID 120761506

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-1-[(1-methylcyclobutyl)methyl]-4-phenylpyrrolidin-3-amine?
The IUPAC name of (3S,4R)-1-[(1-methylcyclobutyl)methyl]-4-phenylpyrrolidin-3-amine (CID 120846833) is (3S,4R)-1-[(1-methylcyclobutyl)methyl]-4-phenylpyrrolidin-3-amine.
What is the SMILES notation for (3S,4R)-1-[(1-methylcyclobutyl)methyl]-4-phenylpyrrolidin-3-amine?
The canonical SMILES for (3S,4R)-1-[(1-methylcyclobutyl)methyl]-4-phenylpyrrolidin-3-amine is CC1(CN2C[C@@H](N)[C@H](c3ccccc3)C2)CCC1.
What is the InChIKey of (3S,4R)-1-[(1-methylcyclobutyl)methyl]-4-phenylpyrrolidin-3-amine?
The InChIKey is FMZMVDVWIPNUDA-LSDHHAIUSA-N. The full InChI is InChI=1S/C16H24N2/c1-16(8-5-9-16)12-18-10-14(15(17)11-18)13-6-3-2-4-7-13/h2-4,6-7,14-15H,5,8-12,17H2,1H3/t14-,15+/m0/s1.
What are the key properties of (3S,4R)-1-[(1-methylcyclobutyl)methyl]-4-phenylpyrrolidin-3-amine?
(3S,4R)-1-[(1-methylcyclobutyl)methyl]-4-phenylpyrrolidin-3-amine has a molecular weight of 244.38 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-1-[(1-methylcyclobutyl)methyl]-4-phenylpyrrolidin-3-amine is sourced from PubChem (CID 120846833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).