[1-[3-(4-methylphenyl)-3-(propylamino)propyl]pyrrolidin-2-yl]methanol

C18H30N2O — CID 62618435

IUPAC[1-[3-(4-methylphenyl)-3-(propylamino)propyl]pyrrolidin-2-yl]methanol
SMILESCCCNC(CCN1CCCC1CO)c1ccc(C)cc1
InChIInChI=1S/C18H30N2O/c1-3-11-19-18(16-8-6-15(2)7-9-16)10-13-20-12-4-5-17(20)14-21/h6-9,17-19,21H,3-5,10-14H2,1-2H3
InChIKeyRNPFILGQQMEQSA-UHFFFAOYSA-N
MW290.45 g/mol
LogP2.88
Rot. Bonds8

About [1-[3-(4-methylphenyl)-3-(propylamino)propyl]pyrrolidin-2-yl]methanol

[1-[3-(4-methylphenyl)-3-(propylamino)propyl]pyrrolidin-2-yl]methanol (PubChem CID 62618435) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is [1-[3-(4-methylphenyl)-3-(propylamino)propyl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[3-(4-methylphenyl)-3-(propylamino)propyl]pyrrolidin-2-yl]methanol
PubChem CID62618435
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name[1-[3-(4-methylphenyl)-3-(propylamino)propyl]pyrrolidin-2-yl]methanol
SMILESCCCNC(CCN1CCCC1CO)c1ccc(C)cc1
InChIInChI=1S/C18H30N2O/c1-3-11-19-18(16-8-6-15(2)7-9-16)10-13-20-12-4-5-17(20)14-21/h6-9,17-19,21H,3-5,10-14H2,1-2H3
InChIKeyRNPFILGQQMEQSA-UHFFFAOYSA-N
XLogP2.88
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[3-(ethylamino)-3-(4-fluorophenyl)propyl]pyrrolidin-2-yl]methanol
CID 62645062
1-(4-methylphenyl)-3-(3-methylpiperidin-1-yl)-N-propylpropan-1-amine
CID 63482314
N-ethyl-1-(4-methylphenyl)-3-(2-methylpyrrolidin-1-yl)propan-1-amine
CID 62613985
[1-[3-(ethylamino)-3-(3-fluorophenyl)propyl]pyrrolidin-2-yl]methanol
CID 62644713
[1-[3-(4-bromophenyl)-3-(methylamino)propyl]piperidin-2-yl]methanol
CID 62617417
[1-[3-(4-chlorophenyl)-3-(methylamino)propyl]piperidin-2-yl]methanol
CID 62642989
N-ethyl-1-(4-methylphenyl)-3-(2-methylpiperidin-1-yl)propan-1-amine
CID 62617686
[1-[4,4-dimethyl-3-(propylamino)pentyl]azepan-2-yl]methanol
CID 116638141
[1-[3-(ethylamino)-3-(5-fluoro-2-pyridinyl)propyl]pyrrolidin-2-yl]methanol
CID 83126571
N,N-dimethyl-1-[2-(4-methylphenyl)-2-(propylamino)ethyl]pyrrolidin-3-amine
CID 63163998
3-[2-(2-hydroxyethyl)piperidin-1-yl]-1-(4-methylphenyl)propan-1-ol
CID 62619330
N'-cyclopropyl-1-(4-methylphenyl)-N,N'-dipropylpropane-1,3-diamine
CID 63484007

Frequently Asked Questions

What is the IUPAC name of [1-[3-(4-methylphenyl)-3-(propylamino)propyl]pyrrolidin-2-yl]methanol?
The IUPAC name of [1-[3-(4-methylphenyl)-3-(propylamino)propyl]pyrrolidin-2-yl]methanol (CID 62618435) is [1-[3-(4-methylphenyl)-3-(propylamino)propyl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-[3-(4-methylphenyl)-3-(propylamino)propyl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [1-[3-(4-methylphenyl)-3-(propylamino)propyl]pyrrolidin-2-yl]methanol is CCCNC(CCN1CCCC1CO)c1ccc(C)cc1.
What is the InChIKey of [1-[3-(4-methylphenyl)-3-(propylamino)propyl]pyrrolidin-2-yl]methanol?
The InChIKey is RNPFILGQQMEQSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-3-11-19-18(16-8-6-15(2)7-9-16)10-13-20-12-4-5-17(20)14-21/h6-9,17-19,21H,3-5,10-14H2,1-2H3.
What are the key properties of [1-[3-(4-methylphenyl)-3-(propylamino)propyl]pyrrolidin-2-yl]methanol?
[1-[3-(4-methylphenyl)-3-(propylamino)propyl]pyrrolidin-2-yl]methanol has a molecular weight of 290.45 g/mol, XLogP of 2.88, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-(4-methylphenyl)-3-(propylamino)propyl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 62618435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).