N-[(2-methylphenyl)methyl]-4-propan-2-ylcyclohexan-1-amine

C17H27N — CID 55193476

IUPACN-[(2-methylphenyl)methyl]-4-propan-2-ylcyclohexan-1-amine
SMILESCc1ccccc1CNC1CCC(C(C)C)CC1
InChIInChI=1S/C17H27N/c1-13(2)15-8-10-17(11-9-15)18-12-16-7-5-4-6-14(16)3/h4-7,13,15,17-18H,8-12H2,1-3H3
InChIKeyOCTIVYHSUHCDJA-UHFFFAOYSA-N
MW245.41 g/mol
LogP4.30
Rot. Bonds4

About N-[(2-methylphenyl)methyl]-4-propan-2-ylcyclohexan-1-amine

N-[(2-methylphenyl)methyl]-4-propan-2-ylcyclohexan-1-amine (PubChem CID 55193476) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is N-[(2-methylphenyl)methyl]-4-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[(2-methylphenyl)methyl]-4-propan-2-ylcyclohexan-1-amine
PubChem CID55193476
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC NameN-[(2-methylphenyl)methyl]-4-propan-2-ylcyclohexan-1-amine
SMILESCc1ccccc1CNC1CCC(C(C)C)CC1
InChIInChI=1S/C17H27N/c1-13(2)15-8-10-17(11-9-15)18-12-16-7-5-4-6-14(16)3/h4-7,13,15,17-18H,8-12H2,1-3H3
InChIKeyOCTIVYHSUHCDJA-UHFFFAOYSA-N
XLogP4.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2-methylphenyl)methyl]-1-(2-methylpropyl)piperidin-4-amine
CID 103614666
cis-(1S,3R)-3-methyl-N-[(2-methylphenyl)methyl]cyclopentan-1-amine
CID 95376461
trans-(1R,2R)-1-N,2-N-bis[(2-methylphenyl)methyl]cyclohexane-1,2-diamine
CID 15739492
1-N-cyclopropyl-2-N,3-dimethyl-2-N-[(2-methylphenyl)methyl]butane-1,2-diamine
CID 62461524
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-propan-2-ylcyclohexan-1-amine
CID 62703899
2-[(cyclopropylamino)methyl]-N-methyl-N-pentan-3-ylaniline
CID 43571414
N-[(2,3-dimethylphenyl)methyl]cyclopentanamine
CID 60657498
N-[[2-(2-methylpropylsulfanyl)phenyl]methyl]cyclopropanamine
CID 63805325
1-(2-chloro-2-cyclopropylethyl)-2-methylbenzene
CID 63015916
1-N-cyclopropyl-4-N-methyl-4-N-[(2-methylphenyl)methyl]pentane-1,4-diamine
CID 62463301
1-cyclopropyl-N-methyl-N-[(2-methylphenyl)methyl]ethanamine
CID 134022614
1,2-dimethyl-N-[(2-methylphenyl)methyl]piperidin-4-amine
CID 79032126

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylphenyl)methyl]-4-propan-2-ylcyclohexan-1-amine?
The IUPAC name of N-[(2-methylphenyl)methyl]-4-propan-2-ylcyclohexan-1-amine (CID 55193476) is N-[(2-methylphenyl)methyl]-4-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for N-[(2-methylphenyl)methyl]-4-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for N-[(2-methylphenyl)methyl]-4-propan-2-ylcyclohexan-1-amine is Cc1ccccc1CNC1CCC(C(C)C)CC1.
What is the InChIKey of N-[(2-methylphenyl)methyl]-4-propan-2-ylcyclohexan-1-amine?
The InChIKey is OCTIVYHSUHCDJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N/c1-13(2)15-8-10-17(11-9-15)18-12-16-7-5-4-6-14(16)3/h4-7,13,15,17-18H,8-12H2,1-3H3.
What are the key properties of N-[(2-methylphenyl)methyl]-4-propan-2-ylcyclohexan-1-amine?
N-[(2-methylphenyl)methyl]-4-propan-2-ylcyclohexan-1-amine has a molecular weight of 245.41 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylphenyl)methyl]-4-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 55193476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).