3-(3-chlorophenyl)-2-methyl-3-pyrrolidin-1-ylpropan-1-ol

C14H20ClNO — CID 83924566

IUPAC3-(3-chlorophenyl)-2-methyl-3-pyrrolidin-1-ylpropan-1-ol
SMILESCC(CO)C(c1cccc(Cl)c1)N1CCCC1
InChIInChI=1S/C14H20ClNO/c1-11(10-17)14(16-7-2-3-8-16)12-5-4-6-13(15)9-12/h4-6,9,11,14,17H,2-3,7-8,10H2,1H3
InChIKeyKETOKRFMNYVITN-UHFFFAOYSA-N
MW253.77 g/mol
LogP3.11
Rot. Bonds4

About 3-(3-chlorophenyl)-2-methyl-3-pyrrolidin-1-ylpropan-1-ol

3-(3-chlorophenyl)-2-methyl-3-pyrrolidin-1-ylpropan-1-ol (PubChem CID 83924566) has the molecular formula C14H20ClNO and a molecular weight of 253.77 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-2-methyl-3-pyrrolidin-1-ylpropan-1-ol.

Molecular Properties

Compound Name3-(3-chlorophenyl)-2-methyl-3-pyrrolidin-1-ylpropan-1-ol
PubChem CID83924566
Molecular FormulaC14H20ClNO
Molecular Weight253.77 g/mol
Exact Mass253.12
IUPAC Name3-(3-chlorophenyl)-2-methyl-3-pyrrolidin-1-ylpropan-1-ol
SMILESCC(CO)C(c1cccc(Cl)c1)N1CCCC1
InChIInChI=1S/C14H20ClNO/c1-11(10-17)14(16-7-2-3-8-16)12-5-4-6-13(15)9-12/h4-6,9,11,14,17H,2-3,7-8,10H2,1H3
InChIKeyKETOKRFMNYVITN-UHFFFAOYSA-N
XLogP3.11
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.77
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R,3S)-3-(3-chlorophenyl)-2-methylbutan-1-ol
CID 165131162
1-(3-chlorophenyl)-1-(4-methylpiperazin-1-yl)propan-2-amine
CID 55019304
4-(3-chlorophenyl)-4-pyrrolidin-1-ylbutan-2-one
CID 82131677
1-[2-chloro-1-(3-chlorophenyl)ethyl]piperidine
CID 82089462
1-(3-chlorophenyl)-1-(4-ethylpiperidin-1-yl)propan-2-amine
CID 55019889
2-[(R)-(4-chlorophenyl)-piperidin-1-ylmethyl]propane-1,3-diol
CID 129404174
1-(3-chlorophenyl)-1-(1,4-oxazepan-4-yl)butan-2-amine
CID 62987402
(2R)-2-amino-N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]propanamide
CID 119849472
1-(3-chlorophenyl)-1-(1-oxo-1,4-thiazinan-4-yl)propan-2-amine
CID 55019457
N-[1-(3-chlorophenyl)propyl]-3-methyl-2-pyrrolidin-1-ylbutan-1-amine
CID 43104352
1-(3-chlorophenyl)-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propan-2-amine
CID 63171714
1-(3-chlorophenyl)-1-(2-ethylpiperidin-1-yl)propan-2-amine
CID 55019306

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-2-methyl-3-pyrrolidin-1-ylpropan-1-ol?
The IUPAC name of 3-(3-chlorophenyl)-2-methyl-3-pyrrolidin-1-ylpropan-1-ol (CID 83924566) is 3-(3-chlorophenyl)-2-methyl-3-pyrrolidin-1-ylpropan-1-ol.
What is the SMILES notation for 3-(3-chlorophenyl)-2-methyl-3-pyrrolidin-1-ylpropan-1-ol?
The canonical SMILES for 3-(3-chlorophenyl)-2-methyl-3-pyrrolidin-1-ylpropan-1-ol is CC(CO)C(c1cccc(Cl)c1)N1CCCC1.
What is the InChIKey of 3-(3-chlorophenyl)-2-methyl-3-pyrrolidin-1-ylpropan-1-ol?
The InChIKey is KETOKRFMNYVITN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO/c1-11(10-17)14(16-7-2-3-8-16)12-5-4-6-13(15)9-12/h4-6,9,11,14,17H,2-3,7-8,10H2,1H3.
What are the key properties of 3-(3-chlorophenyl)-2-methyl-3-pyrrolidin-1-ylpropan-1-ol?
3-(3-chlorophenyl)-2-methyl-3-pyrrolidin-1-ylpropan-1-ol has a molecular weight of 253.77 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-2-methyl-3-pyrrolidin-1-ylpropan-1-ol is sourced from PubChem (CID 83924566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).