3-chloro-1-N-(3-methoxycyclohexyl)-2-N,2-N-dimethylbenzene-1,2-diamine

C15H23ClN2O — CID 106871888

IUPAC3-chloro-1-N-(3-methoxycyclohexyl)-2-N,2-N-dimethylbenzene-1,2-diamine
SMILESCOC1CCCC(Nc2cccc(Cl)c2N(C)C)C1
InChIInChI=1S/C15H23ClN2O/c1-18(2)15-13(16)8-5-9-14(15)17-11-6-4-7-12(10-11)19-3/h5,8-9,11-12,17H,4,6-7,10H2,1-3H3
InChIKeyJIVZNVKPOIGZEC-UHFFFAOYSA-N
MW282.81 g/mol
LogP3.78
Rot. Bonds4

About 3-chloro-1-N-(3-methoxycyclohexyl)-2-N,2-N-dimethylbenzene-1,2-diamine

3-chloro-1-N-(3-methoxycyclohexyl)-2-N,2-N-dimethylbenzene-1,2-diamine (PubChem CID 106871888) has the molecular formula C15H23ClN2O and a molecular weight of 282.81 g/mol. Its IUPAC name is 3-chloro-1-N-(3-methoxycyclohexyl)-2-N,2-N-dimethylbenzene-1,2-diamine.

Molecular Properties

Compound Name3-chloro-1-N-(3-methoxycyclohexyl)-2-N,2-N-dimethylbenzene-1,2-diamine
PubChem CID106871888
Molecular FormulaC15H23ClN2O
Molecular Weight282.81 g/mol
Exact Mass282.15
IUPAC Name3-chloro-1-N-(3-methoxycyclohexyl)-2-N,2-N-dimethylbenzene-1,2-diamine
SMILESCOC1CCCC(Nc2cccc(Cl)c2N(C)C)C1
InChIInChI=1S/C15H23ClN2O/c1-18(2)15-13(16)8-5-9-14(15)17-11-6-4-7-12(10-11)19-3/h5,8-9,11-12,17H,4,6-7,10H2,1-3H3
InChIKeyJIVZNVKPOIGZEC-UHFFFAOYSA-N
XLogP3.78
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.81
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(dimethylamino)methyl]-N-(3-methoxycyclohexyl)aniline
CID 106871933
3-chloro-2-N,2-N-dimethyl-1-N-(oxan-4-yl)benzene-1,2-diamine
CID 43739695
3-chloro-2-N,2-N-dimethyl-1-N-(4-propylcycloheptyl)benzene-1,2-diamine
CID 65086873
3-chloro-2-imidazol-1-yl-N-(3-methoxycyclohexyl)aniline
CID 106871626
5-[(3-methoxycyclohexyl)amino]naphthalen-1-ol
CID 106871902
3-chloro-1-N-(3,5-dimethylcyclohexyl)-2-N,2-N-dimethylbenzene-1,2-diamine
CID 64750815
2-methoxy-N-(3-methoxycyclohexyl)pyridin-3-amine
CID 106871796
2-[(3-methoxycyclohexyl)amino]-6-methylbenzonitrile
CID 114002933
N-(3-methoxycyclohexyl)quinolin-5-amine
CID 106871532
N-(3-methoxycyclohexyl)-8λ4-selena-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaen-2-amine
CID 106871772
3-chloro-2-N,2-N-dimethyl-1-N-pyrrolidin-3-ylbenzene-1,2-diamine
CID 79730840
N-(3-methoxycyclohexyl)-2-propan-2-yloxyaniline
CID 106871886

Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-N-(3-methoxycyclohexyl)-2-N,2-N-dimethylbenzene-1,2-diamine?
The IUPAC name of 3-chloro-1-N-(3-methoxycyclohexyl)-2-N,2-N-dimethylbenzene-1,2-diamine (CID 106871888) is 3-chloro-1-N-(3-methoxycyclohexyl)-2-N,2-N-dimethylbenzene-1,2-diamine.
What is the SMILES notation for 3-chloro-1-N-(3-methoxycyclohexyl)-2-N,2-N-dimethylbenzene-1,2-diamine?
The canonical SMILES for 3-chloro-1-N-(3-methoxycyclohexyl)-2-N,2-N-dimethylbenzene-1,2-diamine is COC1CCCC(Nc2cccc(Cl)c2N(C)C)C1.
What is the InChIKey of 3-chloro-1-N-(3-methoxycyclohexyl)-2-N,2-N-dimethylbenzene-1,2-diamine?
The InChIKey is JIVZNVKPOIGZEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O/c1-18(2)15-13(16)8-5-9-14(15)17-11-6-4-7-12(10-11)19-3/h5,8-9,11-12,17H,4,6-7,10H2,1-3H3.
What are the key properties of 3-chloro-1-N-(3-methoxycyclohexyl)-2-N,2-N-dimethylbenzene-1,2-diamine?
3-chloro-1-N-(3-methoxycyclohexyl)-2-N,2-N-dimethylbenzene-1,2-diamine has a molecular weight of 282.81 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-N-(3-methoxycyclohexyl)-2-N,2-N-dimethylbenzene-1,2-diamine is sourced from PubChem (CID 106871888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).