[1-(2-amino-6-chloroanilino)-4-methylcyclohexyl]methanol

C14H21ClN2O — CID 62551279

IUPAC[1-(2-amino-6-chloroanilino)-4-methylcyclohexyl]methanol
SMILESCC1CCC(CO)(Nc2c(N)cccc2Cl)CC1
InChIInChI=1S/C14H21ClN2O/c1-10-5-7-14(9-18,8-6-10)17-13-11(15)3-2-4-12(13)16/h2-4,10,17-18H,5-9,16H2,1H3
InChIKeyNQGYTTMBWQVZHJ-UHFFFAOYSA-N
MW268.79 g/mol
LogP3.28
Rot. Bonds3

About [1-(2-amino-6-chloroanilino)-4-methylcyclohexyl]methanol

[1-(2-amino-6-chloroanilino)-4-methylcyclohexyl]methanol (PubChem CID 62551279) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is [1-(2-amino-6-chloroanilino)-4-methylcyclohexyl]methanol.

Molecular Properties

Compound Name[1-(2-amino-6-chloroanilino)-4-methylcyclohexyl]methanol
PubChem CID62551279
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC Name[1-(2-amino-6-chloroanilino)-4-methylcyclohexyl]methanol
SMILESCC1CCC(CO)(Nc2c(N)cccc2Cl)CC1
InChIInChI=1S/C14H21ClN2O/c1-10-5-7-14(9-18,8-6-10)17-13-11(15)3-2-4-12(13)16/h2-4,10,17-18H,5-9,16H2,1H3
InChIKeyNQGYTTMBWQVZHJ-UHFFFAOYSA-N
XLogP3.28
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 53.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [1-(2-amino-6-chloroanilino)-4-methylcyclohexyl]methanol?
The IUPAC name of [1-(2-amino-6-chloroanilino)-4-methylcyclohexyl]methanol (CID 62551279) is [1-(2-amino-6-chloroanilino)-4-methylcyclohexyl]methanol.
What is the SMILES notation for [1-(2-amino-6-chloroanilino)-4-methylcyclohexyl]methanol?
The canonical SMILES for [1-(2-amino-6-chloroanilino)-4-methylcyclohexyl]methanol is CC1CCC(CO)(Nc2c(N)cccc2Cl)CC1.
What is the InChIKey of [1-(2-amino-6-chloroanilino)-4-methylcyclohexyl]methanol?
The InChIKey is NQGYTTMBWQVZHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O/c1-10-5-7-14(9-18,8-6-10)17-13-11(15)3-2-4-12(13)16/h2-4,10,17-18H,5-9,16H2,1H3.
What are the key properties of [1-(2-amino-6-chloroanilino)-4-methylcyclohexyl]methanol?
[1-(2-amino-6-chloroanilino)-4-methylcyclohexyl]methanol has a molecular weight of 268.79 g/mol, XLogP of 3.28, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-amino-6-chloroanilino)-4-methylcyclohexyl]methanol is sourced from PubChem (CID 62551279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).