3-chloro-1-N-(2-propan-2-ylcyclohexyl)benzene-1,2-diamine

C15H23ClN2 — CID 104834785

IUPAC3-chloro-1-N-(2-propan-2-ylcyclohexyl)benzene-1,2-diamine
SMILESCC(C)C1CCCCC1Nc1cccc(Cl)c1N
InChIInChI=1S/C15H23ClN2/c1-10(2)11-6-3-4-8-13(11)18-14-9-5-7-12(16)15(14)17/h5,7,9-11,13,18H,3-4,6,8,17H2,1-2H3
InChIKeyPGUVVHNJHKDLMC-UHFFFAOYSA-N
MW266.82 g/mol
LogP4.55
Rot. Bonds3

About 3-chloro-1-N-(2-propan-2-ylcyclohexyl)benzene-1,2-diamine

3-chloro-1-N-(2-propan-2-ylcyclohexyl)benzene-1,2-diamine (PubChem CID 104834785) has the molecular formula C15H23ClN2 and a molecular weight of 266.82 g/mol. Its IUPAC name is 3-chloro-1-N-(2-propan-2-ylcyclohexyl)benzene-1,2-diamine.

Molecular Properties

Compound Name3-chloro-1-N-(2-propan-2-ylcyclohexyl)benzene-1,2-diamine
PubChem CID104834785
Molecular FormulaC15H23ClN2
Molecular Weight266.82 g/mol
Exact Mass266.15
IUPAC Name3-chloro-1-N-(2-propan-2-ylcyclohexyl)benzene-1,2-diamine
SMILESCC(C)C1CCCCC1Nc1cccc(Cl)c1N
InChIInChI=1S/C15H23ClN2/c1-10(2)11-6-3-4-8-13(11)18-14-9-5-7-12(16)15(14)17/h5,7,9-11,13,18H,3-4,6,8,17H2,1-2H3
InChIKeyPGUVVHNJHKDLMC-UHFFFAOYSA-N
XLogP4.55
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.82
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-N-(2-propan-2-ylcyclohexyl)benzene-1,2-diamine?
The IUPAC name of 3-chloro-1-N-(2-propan-2-ylcyclohexyl)benzene-1,2-diamine (CID 104834785) is 3-chloro-1-N-(2-propan-2-ylcyclohexyl)benzene-1,2-diamine.
What is the SMILES notation for 3-chloro-1-N-(2-propan-2-ylcyclohexyl)benzene-1,2-diamine?
The canonical SMILES for 3-chloro-1-N-(2-propan-2-ylcyclohexyl)benzene-1,2-diamine is CC(C)C1CCCCC1Nc1cccc(Cl)c1N.
What is the InChIKey of 3-chloro-1-N-(2-propan-2-ylcyclohexyl)benzene-1,2-diamine?
The InChIKey is PGUVVHNJHKDLMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2/c1-10(2)11-6-3-4-8-13(11)18-14-9-5-7-12(16)15(14)17/h5,7,9-11,13,18H,3-4,6,8,17H2,1-2H3.
What are the key properties of 3-chloro-1-N-(2-propan-2-ylcyclohexyl)benzene-1,2-diamine?
3-chloro-1-N-(2-propan-2-ylcyclohexyl)benzene-1,2-diamine has a molecular weight of 266.82 g/mol, XLogP of 4.55, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-N-(2-propan-2-ylcyclohexyl)benzene-1,2-diamine is sourced from PubChem (CID 104834785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).