[1-(3-chloro-2-methylphenyl)-3-(dimethylamino)pyrrolidin-3-yl]methanol

C14H21ClN2O — CID 117012409

IUPAC[1-(3-chloro-2-methylphenyl)-3-(dimethylamino)pyrrolidin-3-yl]methanol
SMILESCc1c(Cl)cccc1N1CCC(CO)(N(C)C)C1
InChIInChI=1S/C14H21ClN2O/c1-11-12(15)5-4-6-13(11)17-8-7-14(9-17,10-18)16(2)3/h4-6,18H,7-10H2,1-3H3
InChIKeyOLGPPBMKMSNCTI-UHFFFAOYSA-N
MW268.79 g/mol
LogP2.15
Rot. Bonds3

About [1-(3-chloro-2-methylphenyl)-3-(dimethylamino)pyrrolidin-3-yl]methanol

[1-(3-chloro-2-methylphenyl)-3-(dimethylamino)pyrrolidin-3-yl]methanol (PubChem CID 117012409) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is [1-(3-chloro-2-methylphenyl)-3-(dimethylamino)pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[1-(3-chloro-2-methylphenyl)-3-(dimethylamino)pyrrolidin-3-yl]methanol
PubChem CID117012409
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC Name[1-(3-chloro-2-methylphenyl)-3-(dimethylamino)pyrrolidin-3-yl]methanol
SMILESCc1c(Cl)cccc1N1CCC(CO)(N(C)C)C1
InChIInChI=1S/C14H21ClN2O/c1-11-12(15)5-4-6-13(11)17-8-7-14(9-17,10-18)16(2)3/h4-6,18H,7-10H2,1-3H3
InChIKeyOLGPPBMKMSNCTI-UHFFFAOYSA-N
XLogP2.15
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(2-chlorophenyl)-3-(dimethylamino)piperidin-3-yl]methanol
CID 117012684
[3-(dimethylamino)-1-(2,6-dimethylphenyl)pyrrolidin-3-yl]methanol
CID 117012396
3-(aminomethyl)-1-(2-chlorophenyl)-N,N-dimethylpyrrolidin-3-amine
CID 117012477
[1-(3-bromophenyl)-3-(dimethylamino)pyrrolidin-3-yl]methanol
CID 117012425
[1-(2-bromophenyl)-3-(dimethylamino)piperidin-3-yl]methanol
CID 117012693
1-(3-chloro-2-methylphenyl)-3-ethyl-3-methylpiperazine
CID 64925265
[1-(4-chlorophenyl)-3-(dimethylamino)piperidin-3-yl]methanol
CID 117012686
[1-(3-bromo-4-methylphenyl)-3-(dimethylamino)pyrrolidin-3-yl]methanol
CID 117012414
[1-(4-bromo-3-methylphenyl)-3-(dimethylamino)pyrrolidin-3-yl]methanol
CID 117012428
[1-(3-chloro-2-methylphenyl)-2,2-dimethylpiperidin-3-yl]methanol
CID 117019807
2-chloro-6-(3,3-dimethylpyrrolidin-1-yl)aniline
CID 104834721
[4-amino-1-(2,3-dimethylphenyl)piperidin-4-yl]methanol
CID 117012107

Frequently Asked Questions

What is the IUPAC name of [1-(3-chloro-2-methylphenyl)-3-(dimethylamino)pyrrolidin-3-yl]methanol?
The IUPAC name of [1-(3-chloro-2-methylphenyl)-3-(dimethylamino)pyrrolidin-3-yl]methanol (CID 117012409) is [1-(3-chloro-2-methylphenyl)-3-(dimethylamino)pyrrolidin-3-yl]methanol.
What is the SMILES notation for [1-(3-chloro-2-methylphenyl)-3-(dimethylamino)pyrrolidin-3-yl]methanol?
The canonical SMILES for [1-(3-chloro-2-methylphenyl)-3-(dimethylamino)pyrrolidin-3-yl]methanol is Cc1c(Cl)cccc1N1CCC(CO)(N(C)C)C1.
What is the InChIKey of [1-(3-chloro-2-methylphenyl)-3-(dimethylamino)pyrrolidin-3-yl]methanol?
The InChIKey is OLGPPBMKMSNCTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O/c1-11-12(15)5-4-6-13(11)17-8-7-14(9-17,10-18)16(2)3/h4-6,18H,7-10H2,1-3H3.
What are the key properties of [1-(3-chloro-2-methylphenyl)-3-(dimethylamino)pyrrolidin-3-yl]methanol?
[1-(3-chloro-2-methylphenyl)-3-(dimethylamino)pyrrolidin-3-yl]methanol has a molecular weight of 268.79 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-chloro-2-methylphenyl)-3-(dimethylamino)pyrrolidin-3-yl]methanol is sourced from PubChem (CID 117012409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).