(3,5-dimethylcyclohexyl)-(2,3-dimethylphenyl)methanamine

C17H27N — CID 104988996

IUPAC(3,5-dimethylcyclohexyl)-(2,3-dimethylphenyl)methanamine
SMILESCc1cccc(C(N)C2CC(C)CC(C)C2)c1C
InChIInChI=1S/C17H27N/c1-11-8-12(2)10-15(9-11)17(18)16-7-5-6-13(3)14(16)4/h5-7,11-12,15,17H,8-10,18H2,1-4H3
InChIKeyDZCMYGVCYZWQMY-UHFFFAOYSA-N
MW245.41 g/mol
LogP4.38
Rot. Bonds2

About (3,5-dimethylcyclohexyl)-(2,3-dimethylphenyl)methanamine

(3,5-dimethylcyclohexyl)-(2,3-dimethylphenyl)methanamine (PubChem CID 104988996) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is (3,5-dimethylcyclohexyl)-(2,3-dimethylphenyl)methanamine.

Molecular Properties

Compound Name(3,5-dimethylcyclohexyl)-(2,3-dimethylphenyl)methanamine
PubChem CID104988996
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC Name(3,5-dimethylcyclohexyl)-(2,3-dimethylphenyl)methanamine
SMILESCc1cccc(C(N)C2CC(C)CC(C)C2)c1C
InChIInChI=1S/C17H27N/c1-11-8-12(2)10-15(9-11)17(18)16-7-5-6-13(3)14(16)4/h5-7,11-12,15,17H,8-10,18H2,1-4H3
InChIKeyDZCMYGVCYZWQMY-UHFFFAOYSA-N
XLogP4.38
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(R)-cyclopropyl-(2,3-dimethylphenyl)methanamine
CID 55278882
[(3,5-dimethylcyclohexyl)-(2,3-dimethylphenyl)methyl]hydrazine
CID 105312105
(R)-(2,3-dimethylphenyl)-(oxan-4-yl)methanamine
CID 131424754
(2,3-dimethylphenyl)-(thiolan-3-yl)methanamine
CID 105140674
(2,3-dimethylphenyl)-[4-(trifluoromethyl)cyclohexyl]methanamine
CID 105140713
(3,5-dimethylcyclohexyl)-quinolin-8-ylmethanamine
CID 105154267
(3,5-dimethylcyclohexyl)-(2-methylfuran-3-yl)methanamine
CID 104789698
3-[amino-(2,3,4-trimethylphenyl)methyl]cyclobutan-1-amine
CID 116937424
2-bicyclo[2.2.1]heptanyl-(2,3-dimethylphenyl)methanamine
CID 113383478
(1R)-1-(2,3-dimethylphenyl)-2-methoxyethanamine
CID 55291597
(1R)-1-(2,3-dimethylphenyl)-2-methylbutan-1-amine
CID 130806142
N-[(3,5-dimethylcyclohexyl)-(2-methylphenyl)methyl]ethanamine
CID 64731101

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethylcyclohexyl)-(2,3-dimethylphenyl)methanamine?
The IUPAC name of (3,5-dimethylcyclohexyl)-(2,3-dimethylphenyl)methanamine (CID 104988996) is (3,5-dimethylcyclohexyl)-(2,3-dimethylphenyl)methanamine.
What is the SMILES notation for (3,5-dimethylcyclohexyl)-(2,3-dimethylphenyl)methanamine?
The canonical SMILES for (3,5-dimethylcyclohexyl)-(2,3-dimethylphenyl)methanamine is Cc1cccc(C(N)C2CC(C)CC(C)C2)c1C.
What is the InChIKey of (3,5-dimethylcyclohexyl)-(2,3-dimethylphenyl)methanamine?
The InChIKey is DZCMYGVCYZWQMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N/c1-11-8-12(2)10-15(9-11)17(18)16-7-5-6-13(3)14(16)4/h5-7,11-12,15,17H,8-10,18H2,1-4H3.
What are the key properties of (3,5-dimethylcyclohexyl)-(2,3-dimethylphenyl)methanamine?
(3,5-dimethylcyclohexyl)-(2,3-dimethylphenyl)methanamine has a molecular weight of 245.41 g/mol, XLogP of 4.38, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethylcyclohexyl)-(2,3-dimethylphenyl)methanamine is sourced from PubChem (CID 104988996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).