1-[(2-amino-3-chloroanilino)methyl]cyclohexan-1-ol

C13H19ClN2O — CID 104834640

IUPAC1-[(2-amino-3-chloroanilino)methyl]cyclohexan-1-ol
SMILESNc1c(Cl)cccc1NCC1(O)CCCCC1
InChIInChI=1S/C13H19ClN2O/c14-10-5-4-6-11(12(10)15)16-9-13(17)7-2-1-3-8-13/h4-6,16-17H,1-3,7-9,15H2
InChIKeyPVNPUCKOHZNFGU-UHFFFAOYSA-N
MW254.76 g/mol
LogP3.03
Rot. Bonds3

About 1-[(2-amino-3-chloroanilino)methyl]cyclohexan-1-ol

1-[(2-amino-3-chloroanilino)methyl]cyclohexan-1-ol (PubChem CID 104834640) has the molecular formula C13H19ClN2O and a molecular weight of 254.76 g/mol. Its IUPAC name is 1-[(2-amino-3-chloroanilino)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[(2-amino-3-chloroanilino)methyl]cyclohexan-1-ol
PubChem CID104834640
Molecular FormulaC13H19ClN2O
Molecular Weight254.76 g/mol
Exact Mass254.12
IUPAC Name1-[(2-amino-3-chloroanilino)methyl]cyclohexan-1-ol
SMILESNc1c(Cl)cccc1NCC1(O)CCCCC1
InChIInChI=1S/C13H19ClN2O/c14-10-5-4-6-11(12(10)15)16-9-13(17)7-2-1-3-8-13/h4-6,16-17H,1-3,7-9,15H2
InChIKeyPVNPUCKOHZNFGU-UHFFFAOYSA-N
XLogP3.03
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 53.03
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-[(2-amino-3-chloroanilino)methyl]-4-ethylcyclohexan-1-ol
CID 104834643
1-[(2-amino-6-chloroanilino)methyl]cyclopentan-1-ol
CID 65103220
3-chloro-1-N-[[1-(dimethylamino)cyclopentyl]methyl]benzene-1,2-diamine
CID 104834814
2-amino-3-[(1-hydroxycyclopentyl)methylamino]benzonitrile
CID 104716841
1-[(4-amino-2-chloroanilino)methyl]cycloheptan-1-ol
CID 65123434
2-amino-3-chloro-N-[(1-hydroxycycloheptyl)methyl]benzamide
CID 115540784
1-[(2,3-difluoroanilino)methyl]cyclohexan-1-ol
CID 61077001
2-amino-3-[(1-hydroxycyclopentyl)methylamino]-N,N-dimethylbenzenesulfonamide
CID 107116415
1-[(2-ethylanilino)methyl]cyclohexan-1-ol
CID 60901849
3-chloro-1-N-(cyclohexylmethyl)benzene-1,2-diamine
CID 104834104
3-chloro-1-N-(2,2-dimethylpropyl)benzene-1,2-diamine
CID 104834204
1-[[(6-chloro-2-pyridinyl)amino]methyl]cyclohexan-1-ol
CID 65109143

Frequently Asked Questions

What is the IUPAC name of 1-[(2-amino-3-chloroanilino)methyl]cyclohexan-1-ol?
The IUPAC name of 1-[(2-amino-3-chloroanilino)methyl]cyclohexan-1-ol (CID 104834640) is 1-[(2-amino-3-chloroanilino)methyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[(2-amino-3-chloroanilino)methyl]cyclohexan-1-ol?
The canonical SMILES for 1-[(2-amino-3-chloroanilino)methyl]cyclohexan-1-ol is Nc1c(Cl)cccc1NCC1(O)CCCCC1.
What is the InChIKey of 1-[(2-amino-3-chloroanilino)methyl]cyclohexan-1-ol?
The InChIKey is PVNPUCKOHZNFGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O/c14-10-5-4-6-11(12(10)15)16-9-13(17)7-2-1-3-8-13/h4-6,16-17H,1-3,7-9,15H2.
What are the key properties of 1-[(2-amino-3-chloroanilino)methyl]cyclohexan-1-ol?
1-[(2-amino-3-chloroanilino)methyl]cyclohexan-1-ol has a molecular weight of 254.76 g/mol, XLogP of 3.03, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-amino-3-chloroanilino)methyl]cyclohexan-1-ol is sourced from PubChem (CID 104834640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).