[1-[2-chloro-6-(ethylaminomethyl)phenyl]pyrrolidin-2-yl]methanol

C14H21ClN2O — CID 114068349

IUPAC[1-[2-chloro-6-(ethylaminomethyl)phenyl]pyrrolidin-2-yl]methanol
SMILESCCNCc1cccc(Cl)c1N1CCCC1CO
InChIInChI=1S/C14H21ClN2O/c1-2-16-9-11-5-3-7-13(15)14(11)17-8-4-6-12(17)10-18/h3,5,7,12,16,18H,2,4,6,8-10H2,1H3
InChIKeyYTJAJDTUHIZGFV-UHFFFAOYSA-N
MW268.79 g/mol
LogP2.41
Rot. Bonds5

About [1-[2-chloro-6-(ethylaminomethyl)phenyl]pyrrolidin-2-yl]methanol

[1-[2-chloro-6-(ethylaminomethyl)phenyl]pyrrolidin-2-yl]methanol (PubChem CID 114068349) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is [1-[2-chloro-6-(ethylaminomethyl)phenyl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[2-chloro-6-(ethylaminomethyl)phenyl]pyrrolidin-2-yl]methanol
PubChem CID114068349
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC Name[1-[2-chloro-6-(ethylaminomethyl)phenyl]pyrrolidin-2-yl]methanol
SMILESCCNCc1cccc(Cl)c1N1CCCC1CO
InChIInChI=1S/C14H21ClN2O/c1-2-16-9-11-5-3-7-13(15)14(11)17-8-4-6-12(17)10-18/h3,5,7,12,16,18H,2,4,6,8-10H2,1H3
InChIKeyYTJAJDTUHIZGFV-UHFFFAOYSA-N
XLogP2.41
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(2,6-diethylphenyl)piperidin-2-yl]methanol
CID 117027992
[1-[5-chloro-2-(ethylaminomethyl)phenyl]azepan-2-yl]methanol
CID 114853911
1-[1-[2-chloro-6-(chloromethyl)phenyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine
CID 114067818
[1-(2,3-dichlorophenyl)pyrrolidin-2-yl]methanol
CID 117028440
N-[[3-chloro-2-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]methyl]ethanamine
CID 107911151
N-[[2-chloro-6-(2-propylpiperidin-1-yl)phenyl]methyl]ethanamine
CID 83055662
[1-[4-(ethylaminomethyl)-2-methylphenyl]pyrrolidin-2-yl]methanol
CID 62121883
N-[[2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-6-chlorophenyl]methyl]ethanamine
CID 102727329
2-(2,6-dichlorophenyl)-1-[2-(hydroxymethyl)pyrrolidin-1-yl]ethanone
CID 61409223
N-[[1-[(2,6-dichlorophenyl)methyl]pyrrolidin-2-yl]methyl]ethanamine
CID 55092410
2-(2,6-dichlorophenyl)-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]ethanone
CID 66260583
2-chloro-6-[2-(hydroxymethyl)pyrrolidin-1-yl]benzenecarbothioamide
CID 62495647

Frequently Asked Questions

What is the IUPAC name of [1-[2-chloro-6-(ethylaminomethyl)phenyl]pyrrolidin-2-yl]methanol?
The IUPAC name of [1-[2-chloro-6-(ethylaminomethyl)phenyl]pyrrolidin-2-yl]methanol (CID 114068349) is [1-[2-chloro-6-(ethylaminomethyl)phenyl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-[2-chloro-6-(ethylaminomethyl)phenyl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [1-[2-chloro-6-(ethylaminomethyl)phenyl]pyrrolidin-2-yl]methanol is CCNCc1cccc(Cl)c1N1CCCC1CO.
What is the InChIKey of [1-[2-chloro-6-(ethylaminomethyl)phenyl]pyrrolidin-2-yl]methanol?
The InChIKey is YTJAJDTUHIZGFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O/c1-2-16-9-11-5-3-7-13(15)14(11)17-8-4-6-12(17)10-18/h3,5,7,12,16,18H,2,4,6,8-10H2,1H3.
What are the key properties of [1-[2-chloro-6-(ethylaminomethyl)phenyl]pyrrolidin-2-yl]methanol?
[1-[2-chloro-6-(ethylaminomethyl)phenyl]pyrrolidin-2-yl]methanol has a molecular weight of 268.79 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-chloro-6-(ethylaminomethyl)phenyl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 114068349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).