N-[[1-(3,4-dimethylphenyl)cyclohexyl]methyl]propan-2-amine

C18H29N — CID 63511609

IUPACN-[[1-(3,4-dimethylphenyl)cyclohexyl]methyl]propan-2-amine
SMILESCc1ccc(C2(CNC(C)C)CCCCC2)cc1C
InChIInChI=1S/C18H29N/c1-14(2)19-13-18(10-6-5-7-11-18)17-9-8-15(3)16(4)12-17/h8-9,12,14,19H,5-7,10-11,13H2,1-4H3
InChIKeyWCTQKKGYZJQNMI-UHFFFAOYSA-N
MW259.44 g/mol
LogP4.50
Rot. Bonds4

About N-[[1-(3,4-dimethylphenyl)cyclohexyl]methyl]propan-2-amine

N-[[1-(3,4-dimethylphenyl)cyclohexyl]methyl]propan-2-amine (PubChem CID 63511609) has the molecular formula C18H29N and a molecular weight of 259.44 g/mol. Its IUPAC name is N-[[1-(3,4-dimethylphenyl)cyclohexyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-(3,4-dimethylphenyl)cyclohexyl]methyl]propan-2-amine
PubChem CID63511609
Molecular FormulaC18H29N
Molecular Weight259.44 g/mol
Exact Mass259.23
IUPAC NameN-[[1-(3,4-dimethylphenyl)cyclohexyl]methyl]propan-2-amine
SMILESCc1ccc(C2(CNC(C)C)CCCCC2)cc1C
InChIInChI=1S/C18H29N/c1-14(2)19-13-18(10-6-5-7-11-18)17-9-8-15(3)16(4)12-17/h8-9,12,14,19H,5-7,10-11,13H2,1-4H3
InChIKeyWCTQKKGYZJQNMI-UHFFFAOYSA-N
XLogP4.50
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.44
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[4-(3,4-dimethylphenyl)oxan-4-yl]methyl]propan-2-amine
CID 55131240
N-[[1-(4-bromophenyl)cyclohexyl]methyl]propan-2-amine
CID 55196888
N-[[1-(3,4-dimethoxyphenyl)cyclohexyl]methyl]propan-2-amine
CID 62594582
[1-(3,4-dimethylphenyl)cyclohexyl]methanamine
CID 62899225
N-[(1-phenylcyclohexyl)methyl]propan-2-amine
CID 62596577
N-[[1-(4-ethoxy-3-methylphenyl)cyclopropyl]methyl]propan-2-amine
CID 112518586
N-[[4-(3-methoxy-4-methylphenyl)oxan-4-yl]methyl]propan-2-amine
CID 62596439
N-[[1-(3,4-dimethylphenyl)-2-methylcyclopropyl]methyl]propan-2-amine
CID 113404865
N-[[1-[(3,4-dimethylphenyl)methyl]cyclobutyl]methyl]propan-2-amine
CID 65194269
N-[[1-(2-methylphenyl)cycloheptyl]methyl]propan-2-amine
CID 55195742
N-[[1-(3,4-dimethylphenyl)cyclopropyl]methyl]-2-methylpropan-2-amine
CID 62903683
N-[[1-(4-chlorophenyl)cyclobutyl]methyl]propan-2-amine
CID 62595313

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3,4-dimethylphenyl)cyclohexyl]methyl]propan-2-amine?
The IUPAC name of N-[[1-(3,4-dimethylphenyl)cyclohexyl]methyl]propan-2-amine (CID 63511609) is N-[[1-(3,4-dimethylphenyl)cyclohexyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-(3,4-dimethylphenyl)cyclohexyl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-(3,4-dimethylphenyl)cyclohexyl]methyl]propan-2-amine is Cc1ccc(C2(CNC(C)C)CCCCC2)cc1C.
What is the InChIKey of N-[[1-(3,4-dimethylphenyl)cyclohexyl]methyl]propan-2-amine?
The InChIKey is WCTQKKGYZJQNMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N/c1-14(2)19-13-18(10-6-5-7-11-18)17-9-8-15(3)16(4)12-17/h8-9,12,14,19H,5-7,10-11,13H2,1-4H3.
What are the key properties of N-[[1-(3,4-dimethylphenyl)cyclohexyl]methyl]propan-2-amine?
N-[[1-(3,4-dimethylphenyl)cyclohexyl]methyl]propan-2-amine has a molecular weight of 259.44 g/mol, XLogP of 4.50, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3,4-dimethylphenyl)cyclohexyl]methyl]propan-2-amine is sourced from PubChem (CID 63511609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).