[1-(aminomethyl)cyclopentyl]-(2,4-dichlorophenyl)methanol

C13H17Cl2NO — CID 79135535

IUPAC[1-(aminomethyl)cyclopentyl]-(2,4-dichlorophenyl)methanol
SMILESNCC1(C(O)c2ccc(Cl)cc2Cl)CCCC1
InChIInChI=1S/C13H17Cl2NO/c14-9-3-4-10(11(15)7-9)12(17)13(8-16)5-1-2-6-13/h3-4,7,12,17H,1-2,5-6,8,16H2
InChIKeyDXJNEXFXOSMHQW-UHFFFAOYSA-N
MW274.19 g/mol
LogP3.55
Rot. Bonds3

About [1-(aminomethyl)cyclopentyl]-(2,4-dichlorophenyl)methanol

[1-(aminomethyl)cyclopentyl]-(2,4-dichlorophenyl)methanol (PubChem CID 79135535) has the molecular formula C13H17Cl2NO and a molecular weight of 274.19 g/mol. Its IUPAC name is [1-(aminomethyl)cyclopentyl]-(2,4-dichlorophenyl)methanol.

Molecular Properties

Compound Name[1-(aminomethyl)cyclopentyl]-(2,4-dichlorophenyl)methanol
PubChem CID79135535
Molecular FormulaC13H17Cl2NO
Molecular Weight274.19 g/mol
Exact Mass273.07
IUPAC Name[1-(aminomethyl)cyclopentyl]-(2,4-dichlorophenyl)methanol
SMILESNCC1(C(O)c2ccc(Cl)cc2Cl)CCCC1
InChIInChI=1S/C13H17Cl2NO/c14-9-3-4-10(11(15)7-9)12(17)13(8-16)5-1-2-6-13/h3-4,7,12,17H,1-2,5-6,8,16H2
InChIKeyDXJNEXFXOSMHQW-UHFFFAOYSA-N
XLogP3.55
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.19
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(aminomethyl)cyclobutyl]-(2-bromo-5-chlorophenyl)methanol
CID 79124264
[1-(aminomethyl)cyclobutyl]-(3,5-dichlorophenyl)methanol
CID 79138573
[3-(aminomethyl)oxetan-3-yl]-(2,4-dichlorophenyl)methanamine
CID 116944995
[1-(aminomethyl)cyclooctyl]-(4-fluoro-2-methylphenyl)methanol
CID 80603622
[1-(aminomethyl)cyclohexyl]-(2-chloro-6-fluorophenyl)methanol
CID 79134631
[1-(aminomethyl)cyclopentyl]-(2,4-dimethoxyphenyl)methanol
CID 79135621
2-[[1-(aminomethyl)cyclobutyl]-hydroxymethyl]phenol
CID 105460570
[1-(aminomethyl)cyclopentyl]-(5-chlorothiophen-2-yl)methanol
CID 79137693
[1-(aminomethyl)cyclobutyl]-(3,4-difluorophenyl)methanol
CID 79137860
[1-(aminomethyl)cyclobutyl]-(3-bromo-4-chlorophenyl)methanol
CID 83241184
(2,4-dichlorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol
CID 79901810
[1-(aminomethyl)cyclopentyl]-(2,5-dimethoxyphenyl)methanol
CID 79134964

Frequently Asked Questions

What is the IUPAC name of [1-(aminomethyl)cyclopentyl]-(2,4-dichlorophenyl)methanol?
The IUPAC name of [1-(aminomethyl)cyclopentyl]-(2,4-dichlorophenyl)methanol (CID 79135535) is [1-(aminomethyl)cyclopentyl]-(2,4-dichlorophenyl)methanol.
What is the SMILES notation for [1-(aminomethyl)cyclopentyl]-(2,4-dichlorophenyl)methanol?
The canonical SMILES for [1-(aminomethyl)cyclopentyl]-(2,4-dichlorophenyl)methanol is NCC1(C(O)c2ccc(Cl)cc2Cl)CCCC1.
What is the InChIKey of [1-(aminomethyl)cyclopentyl]-(2,4-dichlorophenyl)methanol?
The InChIKey is DXJNEXFXOSMHQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2NO/c14-9-3-4-10(11(15)7-9)12(17)13(8-16)5-1-2-6-13/h3-4,7,12,17H,1-2,5-6,8,16H2.
What are the key properties of [1-(aminomethyl)cyclopentyl]-(2,4-dichlorophenyl)methanol?
[1-(aminomethyl)cyclopentyl]-(2,4-dichlorophenyl)methanol has a molecular weight of 274.19 g/mol, XLogP of 3.55, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(aminomethyl)cyclopentyl]-(2,4-dichlorophenyl)methanol is sourced from PubChem (CID 79135535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).