4-chloro-1-N-(2-cyclohexyloxyethyl)benzene-1,2-diamine

C14H21ClN2O — CID 63826034

IUPAC4-chloro-1-N-(2-cyclohexyloxyethyl)benzene-1,2-diamine
SMILESNc1cc(Cl)ccc1NCCOC1CCCCC1
InChIInChI=1S/C14H21ClN2O/c15-11-6-7-14(13(16)10-11)17-8-9-18-12-4-2-1-3-5-12/h6-7,10,12,17H,1-5,8-9,16H2
InChIKeyWYGCRVGCASZLCX-UHFFFAOYSA-N
MW268.79 g/mol
LogP3.68
Rot. Bonds5

About 4-chloro-1-N-(2-cyclohexyloxyethyl)benzene-1,2-diamine

4-chloro-1-N-(2-cyclohexyloxyethyl)benzene-1,2-diamine (PubChem CID 63826034) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is 4-chloro-1-N-(2-cyclohexyloxyethyl)benzene-1,2-diamine.

Molecular Properties

Compound Name4-chloro-1-N-(2-cyclohexyloxyethyl)benzene-1,2-diamine
PubChem CID63826034
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC Name4-chloro-1-N-(2-cyclohexyloxyethyl)benzene-1,2-diamine
SMILESNc1cc(Cl)ccc1NCCOC1CCCCC1
InChIInChI=1S/C14H21ClN2O/c15-11-6-7-14(13(16)10-11)17-8-9-18-12-4-2-1-3-5-12/h6-7,10,12,17H,1-5,8-9,16H2
InChIKeyWYGCRVGCASZLCX-UHFFFAOYSA-N
XLogP3.68
TPSA47.28 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 ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-1-N-(2-cyclopentyloxyethyl)benzene-1,2-diamine
CID 63825845
N-(2-amino-4-chlorophenyl)-3-cyclopentyloxypropanamide
CID 16794047
N-(2-amino-4-chlorophenyl)-4-cyclohexyloxybutanamide
CID 28549857
3-amino-4-(2-cyclopentyloxyethylamino)benzoic acid
CID 63834095
4-bromo-2-N-(2-cyclopentyloxyethyl)benzene-1,2-diamine
CID 65342141
5-chloro-2-(3-cyclopentyloxypropylamino)benzonitrile
CID 133286015
3-chloro-2-N-(2-cyclohexyloxyethyl)benzene-1,2-diamine
CID 63823896
4-chloro-1-N-(3-ethoxypropyl)benzene-1,2-diamine
CID 28904711
4-chloro-1-N-[2-[cyclopropyl(methyl)amino]ethyl]benzene-1,2-diamine
CID 62976267
N-(2-amino-5-chlorophenyl)-3-cyclopentyloxypropanamide
CID 16792672
3-N-(2-cyclohexyloxyethyl)benzene-1,3-diamine
CID 63826208
4-chloro-1-N-[(2-methylcyclohexyl)methyl]benzene-1,2-diamine
CID 55013528

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-N-(2-cyclohexyloxyethyl)benzene-1,2-diamine?
The IUPAC name of 4-chloro-1-N-(2-cyclohexyloxyethyl)benzene-1,2-diamine (CID 63826034) is 4-chloro-1-N-(2-cyclohexyloxyethyl)benzene-1,2-diamine.
What is the SMILES notation for 4-chloro-1-N-(2-cyclohexyloxyethyl)benzene-1,2-diamine?
The canonical SMILES for 4-chloro-1-N-(2-cyclohexyloxyethyl)benzene-1,2-diamine is Nc1cc(Cl)ccc1NCCOC1CCCCC1.
What is the InChIKey of 4-chloro-1-N-(2-cyclohexyloxyethyl)benzene-1,2-diamine?
The InChIKey is WYGCRVGCASZLCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O/c15-11-6-7-14(13(16)10-11)17-8-9-18-12-4-2-1-3-5-12/h6-7,10,12,17H,1-5,8-9,16H2.
What are the key properties of 4-chloro-1-N-(2-cyclohexyloxyethyl)benzene-1,2-diamine?
4-chloro-1-N-(2-cyclohexyloxyethyl)benzene-1,2-diamine has a molecular weight of 268.79 g/mol, XLogP of 3.68, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-N-(2-cyclohexyloxyethyl)benzene-1,2-diamine is sourced from PubChem (CID 63826034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).