2-methyl-4-phenylcyclohexane-1,1-diamine

C13H20N2 — CID 68836921

IUPAC2-methyl-4-phenylcyclohexane-1,1-diamine
SMILESCC1CC(c2ccccc2)CCC1(N)N
InChIInChI=1S/C13H20N2/c1-10-9-12(7-8-13(10,14)15)11-5-3-2-4-6-11/h2-6,10,12H,7-9,14-15H2,1H3
InChIKeyYWVXOIMXGFQECE-UHFFFAOYSA-N
MW204.32 g/mol
LogP2.20
Rot. Bonds1

About 2-methyl-4-phenylcyclohexane-1,1-diamine

2-methyl-4-phenylcyclohexane-1,1-diamine (PubChem CID 68836921) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is 2-methyl-4-phenylcyclohexane-1,1-diamine.

Molecular Properties

Compound Name2-methyl-4-phenylcyclohexane-1,1-diamine
PubChem CID68836921
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name2-methyl-4-phenylcyclohexane-1,1-diamine
SMILESCC1CC(c2ccccc2)CCC1(N)N
InChIInChI=1S/C13H20N2/c1-10-9-12(7-8-13(10,14)15)11-5-3-2-4-6-11/h2-6,10,12H,7-9,14-15H2,1H3
InChIKeyYWVXOIMXGFQECE-UHFFFAOYSA-N
XLogP2.20
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

6-phenylspiro[2.5]octane
CID 123640963
[(1S,3R)-3-methylcyclohexyl]benzene
CID 134965435
[(1S,3R)-1-amino-3-phenylcyclopentyl]methanol
CID 67361364
2,4-dimethyl-1-phenylcyclohexan-1-amine
CID 64776190
2-methyl-4-phenylthiane 1-oxide
CID 134926040
(1-methyl-4-phenylcyclohexyl)benzene
CID 164683262
(3-methylcyclopentyl)benzene;propane
CID 142973096
2-(4,4-dimethylpiperidin-1-yl)-4-phenylcyclohexan-1-amine
CID 62936547
benzene;cyclopropylbenzene
CID 144638417
1-(4-chlorophenyl)-4-phenylcyclohexan-1-amine
CID 63407795
1-(aminomethyl)-N-methyl-4-phenylcyclohexan-1-amine
CID 62066369
1-(3,5-difluorophenyl)-4-phenylcyclohexan-1-amine
CID 62788504

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-phenylcyclohexane-1,1-diamine?
The IUPAC name of 2-methyl-4-phenylcyclohexane-1,1-diamine (CID 68836921) is 2-methyl-4-phenylcyclohexane-1,1-diamine.
What is the SMILES notation for 2-methyl-4-phenylcyclohexane-1,1-diamine?
The canonical SMILES for 2-methyl-4-phenylcyclohexane-1,1-diamine is CC1CC(c2ccccc2)CCC1(N)N.
What is the InChIKey of 2-methyl-4-phenylcyclohexane-1,1-diamine?
The InChIKey is YWVXOIMXGFQECE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2/c1-10-9-12(7-8-13(10,14)15)11-5-3-2-4-6-11/h2-6,10,12H,7-9,14-15H2,1H3.
What are the key properties of 2-methyl-4-phenylcyclohexane-1,1-diamine?
2-methyl-4-phenylcyclohexane-1,1-diamine has a molecular weight of 204.32 g/mol, XLogP of 2.20, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-phenylcyclohexane-1,1-diamine is sourced from PubChem (CID 68836921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).