(4-tert-butylcyclohexyl)-(2-methylphenyl)methanamine

C18H29N — CID 65402354

IUPAC(4-tert-butylcyclohexyl)-(2-methylphenyl)methanamine
SMILESCc1ccccc1C(N)C1CCC(C(C)(C)C)CC1
InChIInChI=1S/C18H29N/c1-13-7-5-6-8-16(13)17(19)14-9-11-15(12-10-14)18(2,3)4/h5-8,14-15,17H,9-12,19H2,1-4H3
InChIKeyAHYPGIZLVNQQQP-UHFFFAOYSA-N
MW259.44 g/mol
LogP4.85
Rot. Bonds2

About (4-tert-butylcyclohexyl)-(2-methylphenyl)methanamine

(4-tert-butylcyclohexyl)-(2-methylphenyl)methanamine (PubChem CID 65402354) has the molecular formula C18H29N and a molecular weight of 259.44 g/mol. Its IUPAC name is (4-tert-butylcyclohexyl)-(2-methylphenyl)methanamine.

Molecular Properties

Compound Name(4-tert-butylcyclohexyl)-(2-methylphenyl)methanamine
PubChem CID65402354
Molecular FormulaC18H29N
Molecular Weight259.44 g/mol
Exact Mass259.23
IUPAC Name(4-tert-butylcyclohexyl)-(2-methylphenyl)methanamine
SMILESCc1ccccc1C(N)C1CCC(C(C)(C)C)CC1
InChIInChI=1S/C18H29N/c1-13-7-5-6-8-16(13)17(19)14-9-11-15(12-10-14)18(2,3)4/h5-8,14-15,17H,9-12,19H2,1-4H3
InChIKeyAHYPGIZLVNQQQP-UHFFFAOYSA-N
XLogP4.85
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.44
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(4-tert-butylcyclohexyl)-(2-methylphenyl)methanol
CID 65403189
(S)-(2-methylphenyl)-(oxan-4-yl)methanamine;hydrochloride
CID 171242964
(R)-cyclopropyl-(2,3-dimethylphenyl)methanamine
CID 55278882
(2,3-dimethylphenyl)-[4-(trifluoromethyl)cyclohexyl]methanamine
CID 105140713
(4-tert-butylcyclohexyl)-(2,4,6-trimethylphenyl)methanamine
CID 63522356
[(4-tert-butylcyclohexyl)-(4-methyl-3-pyridinyl)methyl]hydrazine
CID 105232736
(2-methoxyphenyl)-[4-(trifluoromethyl)cyclohexyl]methanamine
CID 105093730
2-[(S)-amino(cyclopropyl)methyl]aniline
CID 130654214
(R)-cyclopropyl-(2-methoxyphenyl)methanamine
CID 45072420
(4-tert-butylcyclohexyl)-(2-fluoro-4,6-dimethylphenyl)methanamine
CID 106881648
cyclobutyl-(2-fluoro-3-methylphenyl)methanamine
CID 112630963
2,5-bis[amino-(4-tert-butylcyclohexyl)methyl]naphthalene-1,6-diol
CID 70361471

Frequently Asked Questions

What is the IUPAC name of (4-tert-butylcyclohexyl)-(2-methylphenyl)methanamine?
The IUPAC name of (4-tert-butylcyclohexyl)-(2-methylphenyl)methanamine (CID 65402354) is (4-tert-butylcyclohexyl)-(2-methylphenyl)methanamine.
What is the SMILES notation for (4-tert-butylcyclohexyl)-(2-methylphenyl)methanamine?
The canonical SMILES for (4-tert-butylcyclohexyl)-(2-methylphenyl)methanamine is Cc1ccccc1C(N)C1CCC(C(C)(C)C)CC1.
What is the InChIKey of (4-tert-butylcyclohexyl)-(2-methylphenyl)methanamine?
The InChIKey is AHYPGIZLVNQQQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N/c1-13-7-5-6-8-16(13)17(19)14-9-11-15(12-10-14)18(2,3)4/h5-8,14-15,17H,9-12,19H2,1-4H3.
What are the key properties of (4-tert-butylcyclohexyl)-(2-methylphenyl)methanamine?
(4-tert-butylcyclohexyl)-(2-methylphenyl)methanamine has a molecular weight of 259.44 g/mol, XLogP of 4.85, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butylcyclohexyl)-(2-methylphenyl)methanamine is sourced from PubChem (CID 65402354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).