2-tert-butyl-1-[(3-methylphenyl)methyl]cyclohexan-1-amine

C18H29N — CID 60797418

IUPAC2-tert-butyl-1-[(3-methylphenyl)methyl]cyclohexan-1-amine
SMILESCc1cccc(CC2(N)CCCCC2C(C)(C)C)c1
InChIInChI=1S/C18H29N/c1-14-8-7-9-15(12-14)13-18(19)11-6-5-10-16(18)17(2,3)4/h7-9,12,16H,5-6,10-11,13,19H2,1-4H3
InChIKeyBBOLUODXAPESAC-UHFFFAOYSA-N
MW259.44 g/mol
LogP4.47
Rot. Bonds2

About 2-tert-butyl-1-[(3-methylphenyl)methyl]cyclohexan-1-amine

2-tert-butyl-1-[(3-methylphenyl)methyl]cyclohexan-1-amine (PubChem CID 60797418) has the molecular formula C18H29N and a molecular weight of 259.44 g/mol. Its IUPAC name is 2-tert-butyl-1-[(3-methylphenyl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name2-tert-butyl-1-[(3-methylphenyl)methyl]cyclohexan-1-amine
PubChem CID60797418
Molecular FormulaC18H29N
Molecular Weight259.44 g/mol
Exact Mass259.23
IUPAC Name2-tert-butyl-1-[(3-methylphenyl)methyl]cyclohexan-1-amine
SMILESCc1cccc(CC2(N)CCCCC2C(C)(C)C)c1
InChIInChI=1S/C18H29N/c1-14-8-7-9-15(12-14)13-18(19)11-6-5-10-16(18)17(2,3)4/h7-9,12,16H,5-6,10-11,13,19H2,1-4H3
InChIKeyBBOLUODXAPESAC-UHFFFAOYSA-N
XLogP4.47
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 ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-tert-butyl-1-[(3,4-dimethylphenyl)methyl]cyclohexan-1-amine
CID 63408173
2-tert-butyl-1-[(4-ethylphenyl)methyl]cyclohexan-1-amine
CID 63408085
4-tert-butyl-1-[(3-methylphenyl)methyl]cyclohexan-1-amine
CID 60799490
1-[(3-methylphenyl)methyl]cyclopropan-1-amine
CID 23106077
1-[(2-bromophenyl)methyl]-2-tert-butylcyclohexan-1-amine
CID 60799064
2-ethyl-1-[(3-methylphenyl)methyl]cyclopropan-1-amine
CID 79333753
trans-(1S,2R)-2-amino-1-[(3-methylphenyl)methyl]cycloheptane-1-carboxylic acid
CID 138969232
2-tert-butyl-1-[(2-fluoro-3-methoxyphenyl)methyl]cyclohexan-1-amine
CID 104793292
2-tert-butyl-1-propylcyclohexan-1-amine
CID 43809442
3,4-dimethyl-1-[(3-methylphenyl)methyl]cyclohexan-1-amine
CID 64733945
2-tert-butyl-1-[(1-ethylpyrazol-4-yl)methyl]cyclohexan-1-amine
CID 62127480
4-tert-butyl-1-[(3-methylphenyl)methyl]cyclohexane-1-carbonitrile
CID 65402458

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1-[(3-methylphenyl)methyl]cyclohexan-1-amine?
The IUPAC name of 2-tert-butyl-1-[(3-methylphenyl)methyl]cyclohexan-1-amine (CID 60797418) is 2-tert-butyl-1-[(3-methylphenyl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 2-tert-butyl-1-[(3-methylphenyl)methyl]cyclohexan-1-amine?
The canonical SMILES for 2-tert-butyl-1-[(3-methylphenyl)methyl]cyclohexan-1-amine is Cc1cccc(CC2(N)CCCCC2C(C)(C)C)c1.
What is the InChIKey of 2-tert-butyl-1-[(3-methylphenyl)methyl]cyclohexan-1-amine?
The InChIKey is BBOLUODXAPESAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N/c1-14-8-7-9-15(12-14)13-18(19)11-6-5-10-16(18)17(2,3)4/h7-9,12,16H,5-6,10-11,13,19H2,1-4H3.
What are the key properties of 2-tert-butyl-1-[(3-methylphenyl)methyl]cyclohexan-1-amine?
2-tert-butyl-1-[(3-methylphenyl)methyl]cyclohexan-1-amine has a molecular weight of 259.44 g/mol, XLogP of 4.47, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1-[(3-methylphenyl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 60797418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).