1-[3-amino-3-(3-methylphenyl)propyl]pyrrolidin-3-ol

C14H22N2O — CID 62941921

IUPAC1-[3-amino-3-(3-methylphenyl)propyl]pyrrolidin-3-ol
SMILESCc1cccc(C(N)CCN2CCC(O)C2)c1
InChIInChI=1S/C14H22N2O/c1-11-3-2-4-12(9-11)14(15)6-8-16-7-5-13(17)10-16/h2-4,9,13-14,17H,5-8,10,15H2,1H3
InChIKeyJZFBKDYOYZFPAC-UHFFFAOYSA-N
MW234.34 g/mol
LogP1.45
Rot. Bonds4

About 1-[3-amino-3-(3-methylphenyl)propyl]pyrrolidin-3-ol

1-[3-amino-3-(3-methylphenyl)propyl]pyrrolidin-3-ol (PubChem CID 62941921) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 1-[3-amino-3-(3-methylphenyl)propyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[3-amino-3-(3-methylphenyl)propyl]pyrrolidin-3-ol
PubChem CID62941921
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name1-[3-amino-3-(3-methylphenyl)propyl]pyrrolidin-3-ol
SMILESCc1cccc(C(N)CCN2CCC(O)C2)c1
InChIInChI=1S/C14H22N2O/c1-11-3-2-4-12(9-11)14(15)6-8-16-7-5-13(17)10-16/h2-4,9,13-14,17H,5-8,10,15H2,1H3
InChIKeyJZFBKDYOYZFPAC-UHFFFAOYSA-N
XLogP1.45
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-amino-3-(3-methylphenyl)propyl]piperidin-3-ol
CID 62623074
1-[3-hydroxy-3-(3-methylphenyl)propyl]piperidin-4-ol
CID 62623635
3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-(3-methylphenyl)propan-1-amine
CID 104960603
1-[1-[3-amino-3-(3-chlorophenyl)propyl]pyrrolidin-3-yl]ethanol
CID 112629124
1-(3-hydroxy-3-phenylpropyl)pyrrolidin-3-ol
CID 62943227
1-(2-amino-2-phenylethyl)pyrrolidin-3-ol
CID 18939029
1-[3-(3-chlorophenyl)-3-hydroxypropyl]pyrrolidin-3-ol
CID 62941193
1-(3-fluorophenyl)-3-(4-methylpiperidin-1-yl)propan-1-amine
CID 62643218
1-[2-(dimethylamino)-2-(3-methylphenyl)ethyl]piperidin-3-ol
CID 45247214
1-(3-bromophenyl)-3-(4-propan-2-ylpiperidin-1-yl)propan-1-amine
CID 103502679
1-[3-(3-fluorophenyl)-3-(methylamino)propyl]pyrrolidin-3-ol
CID 62943222
(4R)-4-amino-4-(3-methylphenyl)butan-1-ol;hydrochloride
CID 171209897

Frequently Asked Questions

What is the IUPAC name of 1-[3-amino-3-(3-methylphenyl)propyl]pyrrolidin-3-ol?
The IUPAC name of 1-[3-amino-3-(3-methylphenyl)propyl]pyrrolidin-3-ol (CID 62941921) is 1-[3-amino-3-(3-methylphenyl)propyl]pyrrolidin-3-ol.
What is the SMILES notation for 1-[3-amino-3-(3-methylphenyl)propyl]pyrrolidin-3-ol?
The canonical SMILES for 1-[3-amino-3-(3-methylphenyl)propyl]pyrrolidin-3-ol is Cc1cccc(C(N)CCN2CCC(O)C2)c1.
What is the InChIKey of 1-[3-amino-3-(3-methylphenyl)propyl]pyrrolidin-3-ol?
The InChIKey is JZFBKDYOYZFPAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-11-3-2-4-12(9-11)14(15)6-8-16-7-5-13(17)10-16/h2-4,9,13-14,17H,5-8,10,15H2,1H3.
What are the key properties of 1-[3-amino-3-(3-methylphenyl)propyl]pyrrolidin-3-ol?
1-[3-amino-3-(3-methylphenyl)propyl]pyrrolidin-3-ol has a molecular weight of 234.34 g/mol, XLogP of 1.45, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-amino-3-(3-methylphenyl)propyl]pyrrolidin-3-ol is sourced from PubChem (CID 62941921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).