(3R)-1-[(4-ethylphenyl)methyl]pyrrolidin-3-amine;hydrochloride

C13H21ClN2 — CID 119905330

IUPAC(3R)-1-[(4-ethylphenyl)methyl]pyrrolidin-3-amine;hydrochloride
SMILESCCc1ccc(CN2CC[C@@H](N)C2)cc1.Cl
InChIInChI=1S/C13H20N2.ClH/c1-2-11-3-5-12(6-4-11)9-15-8-7-13(14)10-15;/h3-6,13H,2,7-10,14H2,1H3;1H/t13-;/m1./s1
InChIKeyAIQJIPUHFPLPPV-BTQNPOSSSA-N
MW240.78 g/mol
LogP2.20
Rot. Bonds3

About (3R)-1-[(4-ethylphenyl)methyl]pyrrolidin-3-amine;hydrochloride

(3R)-1-[(4-ethylphenyl)methyl]pyrrolidin-3-amine;hydrochloride (PubChem CID 119905330) has the molecular formula C13H21ClN2 and a molecular weight of 240.78 g/mol. Its IUPAC name is (3R)-1-[(4-ethylphenyl)methyl]pyrrolidin-3-amine;hydrochloride.

Molecular Properties

Compound Name(3R)-1-[(4-ethylphenyl)methyl]pyrrolidin-3-amine;hydrochloride
PubChem CID119905330
Molecular FormulaC13H21ClN2
Molecular Weight240.78 g/mol
Exact Mass240.14
IUPAC Name(3R)-1-[(4-ethylphenyl)methyl]pyrrolidin-3-amine;hydrochloride
SMILESCCc1ccc(CN2CC[C@@H](N)C2)cc1.Cl
InChIInChI=1S/C13H20N2.ClH/c1-2-11-3-5-12(6-4-11)9-15-8-7-13(14)10-15;/h3-6,13H,2,7-10,14H2,1H3;1H/t13-;/m1./s1
InChIKeyAIQJIPUHFPLPPV-BTQNPOSSSA-N
XLogP2.20
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.78
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(4-bromophenyl)methyl]pyrrolidin-3-amine;dihydrochloride
CID 75994008
1-[(4-fluorophenyl)methyl]pyrrolidin-3-amine;dihydrochloride
CID 53422149
(3S)-1-[(4-ethoxyphenyl)methyl]pyrrolidin-3-amine
CID 94339773
(3R)-1-[(4-ethoxyphenyl)methyl]pyrrolidin-3-amine
CID 68965269
1-[[4-(diethylamino)phenyl]methyl]pyrrolidin-3-amine
CID 102550610
(3R)-1-[(4-bromophenyl)methyl]pyrrolidin-3-amine
CID 53256327
(3R)-1-[[4-(dimethylamino)phenyl]methyl]pyrrolidin-3-amine
CID 94339766
3-(bromomethyl)-1-[(4-ethylphenyl)methyl]pyrrolidine
CID 80689924
1-[(4-phenylphenyl)methyl]pyrrolidin-3-amine
CID 62068870
(3S)-1-(pyridin-4-ylmethyl)pyrrolidin-3-amine
CID 39225703
1-[(3,4-dichlorophenyl)methyl]pyrrolidin-3-amine
CID 11382802
(3R)-1-[[4-(cyclopropylmethoxy)phenyl]methyl]pyrrolidin-3-amine;hydrochloride
CID 120833880

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(4-ethylphenyl)methyl]pyrrolidin-3-amine;hydrochloride?
The IUPAC name of (3R)-1-[(4-ethylphenyl)methyl]pyrrolidin-3-amine;hydrochloride (CID 119905330) is (3R)-1-[(4-ethylphenyl)methyl]pyrrolidin-3-amine;hydrochloride.
What is the SMILES notation for (3R)-1-[(4-ethylphenyl)methyl]pyrrolidin-3-amine;hydrochloride?
The canonical SMILES for (3R)-1-[(4-ethylphenyl)methyl]pyrrolidin-3-amine;hydrochloride is CCc1ccc(CN2CC[C@@H](N)C2)cc1.Cl.
What is the InChIKey of (3R)-1-[(4-ethylphenyl)methyl]pyrrolidin-3-amine;hydrochloride?
The InChIKey is AIQJIPUHFPLPPV-BTQNPOSSSA-N. The full InChI is InChI=1S/C13H20N2.ClH/c1-2-11-3-5-12(6-4-11)9-15-8-7-13(14)10-15;/h3-6,13H,2,7-10,14H2,1H3;1H/t13-;/m1./s1.
What are the key properties of (3R)-1-[(4-ethylphenyl)methyl]pyrrolidin-3-amine;hydrochloride?
(3R)-1-[(4-ethylphenyl)methyl]pyrrolidin-3-amine;hydrochloride has a molecular weight of 240.78 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(4-ethylphenyl)methyl]pyrrolidin-3-amine;hydrochloride is sourced from PubChem (CID 119905330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).