[1-[(4-amino-5-chloro-2-methylanilino)methyl]cyclopentyl]methanol

C14H21ClN2O — CID 115555162

IUPAC[1-[(4-amino-5-chloro-2-methylanilino)methyl]cyclopentyl]methanol
SMILESCc1cc(N)c(Cl)cc1NCC1(CO)CCCC1
InChIInChI=1S/C14H21ClN2O/c1-10-6-12(16)11(15)7-13(10)17-8-14(9-18)4-2-3-5-14/h6-7,17-18H,2-5,8-9,16H2,1H3
InChIKeyCWQIRZOCCSKOQL-UHFFFAOYSA-N
MW268.79 g/mol
LogP3.20
Rot. Bonds4

About [1-[(4-amino-5-chloro-2-methylanilino)methyl]cyclopentyl]methanol

[1-[(4-amino-5-chloro-2-methylanilino)methyl]cyclopentyl]methanol (PubChem CID 115555162) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is [1-[(4-amino-5-chloro-2-methylanilino)methyl]cyclopentyl]methanol.

Molecular Properties

Compound Name[1-[(4-amino-5-chloro-2-methylanilino)methyl]cyclopentyl]methanol
PubChem CID115555162
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC Name[1-[(4-amino-5-chloro-2-methylanilino)methyl]cyclopentyl]methanol
SMILESCc1cc(N)c(Cl)cc1NCC1(CO)CCCC1
InChIInChI=1S/C14H21ClN2O/c1-10-6-12(16)11(15)7-13(10)17-8-14(9-18)4-2-3-5-14/h6-7,17-18H,2-5,8-9,16H2,1H3
InChIKeyCWQIRZOCCSKOQL-UHFFFAOYSA-N
XLogP3.20
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 53.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

[1-[(4-amino-2-methylanilino)methyl]cyclopentyl]methanol
CID 115358022
[1-[(2-amino-4-chloro-5-fluoroanilino)methyl]cyclopentyl]methanol
CID 115358093
[1-[(4,5-dimethoxy-2-methylanilino)methyl]cyclohexyl]methanol
CID 81401104
4-[[1-(hydroxymethyl)cyclohexyl]methylamino]-3-methylbenzamide
CID 81413360
5-amino-4-chloro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-methylbenzenesulfonamide
CID 115454066
[1-[(2-amino-5-bromoanilino)methyl]cyclopentyl]methanol
CID 115358053
5-amino-3-[[1-(hydroxymethyl)cyclopentyl]methylamino]-2-methylbenzenesulfonamide
CID 115358015
[1-[(2-amino-5-methoxyanilino)methyl]cyclohexyl]methanol
CID 103965437
[1-[[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)amino]methyl]cyclopropyl]methanol
CID 115243248
2-[1-[(5-chloro-2-methyl-4-nitroanilino)methyl]cyclobutyl]acetic acid
CID 115555461
2-chloro-5-methyl-4-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzene-1,4-diamine
CID 115555097
[1-[(2-methyl-4-propan-2-yloxyanilino)methyl]cyclohexyl]methanol
CID 81399768

Frequently Asked Questions

What is the IUPAC name of [1-[(4-amino-5-chloro-2-methylanilino)methyl]cyclopentyl]methanol?
The IUPAC name of [1-[(4-amino-5-chloro-2-methylanilino)methyl]cyclopentyl]methanol (CID 115555162) is [1-[(4-amino-5-chloro-2-methylanilino)methyl]cyclopentyl]methanol.
What is the SMILES notation for [1-[(4-amino-5-chloro-2-methylanilino)methyl]cyclopentyl]methanol?
The canonical SMILES for [1-[(4-amino-5-chloro-2-methylanilino)methyl]cyclopentyl]methanol is Cc1cc(N)c(Cl)cc1NCC1(CO)CCCC1.
What is the InChIKey of [1-[(4-amino-5-chloro-2-methylanilino)methyl]cyclopentyl]methanol?
The InChIKey is CWQIRZOCCSKOQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O/c1-10-6-12(16)11(15)7-13(10)17-8-14(9-18)4-2-3-5-14/h6-7,17-18H,2-5,8-9,16H2,1H3.
What are the key properties of [1-[(4-amino-5-chloro-2-methylanilino)methyl]cyclopentyl]methanol?
[1-[(4-amino-5-chloro-2-methylanilino)methyl]cyclopentyl]methanol has a molecular weight of 268.79 g/mol, XLogP of 3.20, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-amino-5-chloro-2-methylanilino)methyl]cyclopentyl]methanol is sourced from PubChem (CID 115555162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).