4-[[2-(3-chlorophenyl)propylamino]methyl]pyrrolidin-3-ol

C14H21ClN2O — CID 120962585

IUPAC4-[[2-(3-chlorophenyl)propylamino]methyl]pyrrolidin-3-ol
SMILESCC(CNCC1CNCC1O)c1cccc(Cl)c1
InChIInChI=1S/C14H21ClN2O/c1-10(11-3-2-4-13(15)5-11)6-16-7-12-8-17-9-14(12)18/h2-5,10,12,14,16-18H,6-9H2,1H3
InChIKeyLMLZMUSNHMREBI-UHFFFAOYSA-N
MW268.79 g/mol
LogP1.61
Rot. Bonds5

About 4-[[2-(3-chlorophenyl)propylamino]methyl]pyrrolidin-3-ol

4-[[2-(3-chlorophenyl)propylamino]methyl]pyrrolidin-3-ol (PubChem CID 120962585) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is 4-[[2-(3-chlorophenyl)propylamino]methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name4-[[2-(3-chlorophenyl)propylamino]methyl]pyrrolidin-3-ol
PubChem CID120962585
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC Name4-[[2-(3-chlorophenyl)propylamino]methyl]pyrrolidin-3-ol
SMILESCC(CNCC1CNCC1O)c1cccc(Cl)c1
InChIInChI=1S/C14H21ClN2O/c1-10(11-3-2-4-13(15)5-11)6-16-7-12-8-17-9-14(12)18/h2-5,10,12,14,16-18H,6-9H2,1H3
InChIKeyLMLZMUSNHMREBI-UHFFFAOYSA-N
XLogP1.61
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 51.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[(3-chlorophenyl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride
CID 120962488
N-[2-(3-chlorophenyl)propyl]-2-methylpropan-1-amine
CID 66436956
(2R)-2-(3-chlorophenyl)-N-[[(2R)-4-methylmorpholin-2-yl]methyl]propan-1-amine
CID 99824434
N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-methyl-2-phenylbutanamide
CID 120948957
2-(3-bromophenyl)-N-(cyclopropylmethyl)propan-1-amine
CID 115875991
1-chloro-3-(1-methoxypropan-2-yl)benzene
CID 170008686
N-[1-(3-chlorophenyl)ethyl]-N-methylazetidin-3-amine
CID 62979516
N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-(4-propan-2-ylphenyl)butanamide;hydrochloride
CID 120944779
2-(3-bromophenyl)-N-(cyclobutylmethyl)propan-1-amine
CID 115876148
1-[2-(3-chlorophenyl)propyl]piperidin-4-ol
CID 86804164
(1R)-1-(3-chlorophenyl)-2-methylpropan-1-ol
CID 93312224
(2R)-2-(3-chlorophenyl)-N-[(2-methylpyrazol-3-yl)methyl]propan-1-amine
CID 99824209

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(3-chlorophenyl)propylamino]methyl]pyrrolidin-3-ol?
The IUPAC name of 4-[[2-(3-chlorophenyl)propylamino]methyl]pyrrolidin-3-ol (CID 120962585) is 4-[[2-(3-chlorophenyl)propylamino]methyl]pyrrolidin-3-ol.
What is the SMILES notation for 4-[[2-(3-chlorophenyl)propylamino]methyl]pyrrolidin-3-ol?
The canonical SMILES for 4-[[2-(3-chlorophenyl)propylamino]methyl]pyrrolidin-3-ol is CC(CNCC1CNCC1O)c1cccc(Cl)c1.
What is the InChIKey of 4-[[2-(3-chlorophenyl)propylamino]methyl]pyrrolidin-3-ol?
The InChIKey is LMLZMUSNHMREBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O/c1-10(11-3-2-4-13(15)5-11)6-16-7-12-8-17-9-14(12)18/h2-5,10,12,14,16-18H,6-9H2,1H3.
What are the key properties of 4-[[2-(3-chlorophenyl)propylamino]methyl]pyrrolidin-3-ol?
4-[[2-(3-chlorophenyl)propylamino]methyl]pyrrolidin-3-ol has a molecular weight of 268.79 g/mol, XLogP of 1.61, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(3-chlorophenyl)propylamino]methyl]pyrrolidin-3-ol is sourced from PubChem (CID 120962585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).