2-chloro-1-N,1-N-dimethyl-4-N-(5-methyl-2-propan-2-ylcyclohexyl)benzene-1,4-diamine

C18H29ClN2 — CID 63451308

IUPAC2-chloro-1-N,1-N-dimethyl-4-N-(5-methyl-2-propan-2-ylcyclohexyl)benzene-1,4-diamine
SMILESCC1CCC(C(C)C)C(Nc2ccc(N(C)C)c(Cl)c2)C1
InChIInChI=1S/C18H29ClN2/c1-12(2)15-8-6-13(3)10-17(15)20-14-7-9-18(21(4)5)16(19)11-14/h7,9,11-13,15,17,20H,6,8,10H2,1-5H3
InChIKeyNBBJYQREWVPABK-UHFFFAOYSA-N
MW308.90 g/mol
LogP5.28
Rot. Bonds4

About 2-chloro-1-N,1-N-dimethyl-4-N-(5-methyl-2-propan-2-ylcyclohexyl)benzene-1,4-diamine

2-chloro-1-N,1-N-dimethyl-4-N-(5-methyl-2-propan-2-ylcyclohexyl)benzene-1,4-diamine (PubChem CID 63451308) has the molecular formula C18H29ClN2 and a molecular weight of 308.90 g/mol. Its IUPAC name is 2-chloro-1-N,1-N-dimethyl-4-N-(5-methyl-2-propan-2-ylcyclohexyl)benzene-1,4-diamine.

Molecular Properties

Compound Name2-chloro-1-N,1-N-dimethyl-4-N-(5-methyl-2-propan-2-ylcyclohexyl)benzene-1,4-diamine
PubChem CID63451308
Molecular FormulaC18H29ClN2
Molecular Weight308.90 g/mol
Exact Mass308.20
IUPAC Name2-chloro-1-N,1-N-dimethyl-4-N-(5-methyl-2-propan-2-ylcyclohexyl)benzene-1,4-diamine
SMILESCC1CCC(C(C)C)C(Nc2ccc(N(C)C)c(Cl)c2)C1
InChIInChI=1S/C18H29ClN2/c1-12(2)15-8-6-13(3)10-17(15)20-14-7-9-18(21(4)5)16(19)11-14/h7,9,11-13,15,17,20H,6,8,10H2,1-5H3
InChIKeyNBBJYQREWVPABK-UHFFFAOYSA-N
XLogP5.28
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.90
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-chloro-4-N-(2,4-dimethylcyclohexyl)-1-N,1-N-dimethylbenzene-1,4-diamine
CID 64762878
3-chloro-4-methoxy-N-(5-methyl-2-propan-2-ylcyclohexyl)aniline
CID 43099443
2-chloro-5-[(5-methyl-2-propan-2-ylcyclohexyl)amino]benzonitrile
CID 43686839
2-chloro-1-N,1-N-dimethyl-4-N-(3-methylcyclobutyl)benzene-1,4-diamine
CID 104860241
2-fluoro-5-[(5-methyl-2-propan-2-ylcyclohexyl)amino]benzonitrile
CID 63477106
2-chloro-4-N-(2,6-dimethylcyclohexyl)-1-N,1-N-dimethylbenzene-1,4-diamine
CID 63451177
2-chloro-1-N,1-N-dimethyl-4-N-(8-tricyclo[5.2.1.02,6]decanyl)benzene-1,4-diamine
CID 63451178
N-(5-methyl-2-propan-2-ylcyclohexyl)-3-(trifluoromethyl)aniline
CID 63419352
N-(5-methyl-2-propan-2-ylcyclohexyl)quinolin-6-amine
CID 63476993
3-fluoro-5-methyl-N-(5-methyl-2-propan-2-ylcyclohexyl)aniline
CID 79055587
2-chloro-1-N,1-N-dimethyl-4-N-(2-methylsulfonylcyclopentyl)benzene-1,4-diamine
CID 65046253
N-[(2,6-dichlorophenyl)methyl]-5-methyl-2-propan-2-ylcyclohexan-1-amine
CID 43710184

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-N,1-N-dimethyl-4-N-(5-methyl-2-propan-2-ylcyclohexyl)benzene-1,4-diamine?
The IUPAC name of 2-chloro-1-N,1-N-dimethyl-4-N-(5-methyl-2-propan-2-ylcyclohexyl)benzene-1,4-diamine (CID 63451308) is 2-chloro-1-N,1-N-dimethyl-4-N-(5-methyl-2-propan-2-ylcyclohexyl)benzene-1,4-diamine.
What is the SMILES notation for 2-chloro-1-N,1-N-dimethyl-4-N-(5-methyl-2-propan-2-ylcyclohexyl)benzene-1,4-diamine?
The canonical SMILES for 2-chloro-1-N,1-N-dimethyl-4-N-(5-methyl-2-propan-2-ylcyclohexyl)benzene-1,4-diamine is CC1CCC(C(C)C)C(Nc2ccc(N(C)C)c(Cl)c2)C1.
What is the InChIKey of 2-chloro-1-N,1-N-dimethyl-4-N-(5-methyl-2-propan-2-ylcyclohexyl)benzene-1,4-diamine?
The InChIKey is NBBJYQREWVPABK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29ClN2/c1-12(2)15-8-6-13(3)10-17(15)20-14-7-9-18(21(4)5)16(19)11-14/h7,9,11-13,15,17,20H,6,8,10H2,1-5H3.
What are the key properties of 2-chloro-1-N,1-N-dimethyl-4-N-(5-methyl-2-propan-2-ylcyclohexyl)benzene-1,4-diamine?
2-chloro-1-N,1-N-dimethyl-4-N-(5-methyl-2-propan-2-ylcyclohexyl)benzene-1,4-diamine has a molecular weight of 308.90 g/mol, XLogP of 5.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-N,1-N-dimethyl-4-N-(5-methyl-2-propan-2-ylcyclohexyl)benzene-1,4-diamine is sourced from PubChem (CID 63451308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).