N-[cycloheptyl-(3,4-dimethylphenyl)methyl]ethanamine

C18H29N — CID 63507724

IUPACN-[cycloheptyl-(3,4-dimethylphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(C)c(C)c1)C1CCCCCC1
InChIInChI=1S/C18H29N/c1-4-19-18(16-9-7-5-6-8-10-16)17-12-11-14(2)15(3)13-17/h11-13,16,18-19H,4-10H2,1-3H3
InChIKeyZEXNRCOAQNCZMU-UHFFFAOYSA-N
MW259.44 g/mol
LogP4.92
Rot. Bonds4

About N-[cycloheptyl-(3,4-dimethylphenyl)methyl]ethanamine

N-[cycloheptyl-(3,4-dimethylphenyl)methyl]ethanamine (PubChem CID 63507724) has the molecular formula C18H29N and a molecular weight of 259.44 g/mol. Its IUPAC name is N-[cycloheptyl-(3,4-dimethylphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[cycloheptyl-(3,4-dimethylphenyl)methyl]ethanamine
PubChem CID63507724
Molecular FormulaC18H29N
Molecular Weight259.44 g/mol
Exact Mass259.23
IUPAC NameN-[cycloheptyl-(3,4-dimethylphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(C)c(C)c1)C1CCCCCC1
InChIInChI=1S/C18H29N/c1-4-19-18(16-9-7-5-6-8-10-16)17-12-11-14(2)15(3)13-17/h11-13,16,18-19H,4-10H2,1-3H3
InChIKeyZEXNRCOAQNCZMU-UHFFFAOYSA-N
XLogP4.92
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 ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[cycloheptyl-(3-methoxy-4-methylphenyl)methyl]ethanamine
CID 105027735
N-[(4-bromo-3,5-dimethylphenyl)-cycloheptylmethyl]ethanamine
CID 114330720
N-[cyclooctyl-(4-fluoro-3,5-dimethylphenyl)methyl]ethanamine
CID 65299109
N-[(3,4-dimethylphenyl)-(3-ethylcyclopentyl)methyl]ethanamine
CID 65411811
N-[cycloheptyl-(3,4-dimethoxyphenyl)methyl]ethanamine
CID 62587576
N-[cycloheptyl-(3-methylphenyl)methyl]ethanamine
CID 65399254
N-[(4-bromo-3-methylphenyl)-cycloheptylmethyl]propan-1-amine
CID 105027651
N-[cycloheptyl(naphthalen-2-yl)methyl]ethanamine
CID 65399024
N-[cyclopentyl-(3-methylphenyl)methyl]ethanamine
CID 60818890
2-cyclohexyl-1-(3,4-dimethylphenyl)-N-ethyl-2-methoxyethanamine
CID 116771781
N-[(3-bromo-4-methoxyphenyl)-cyclooctylmethyl]ethanamine
CID 65018549
N-[cyclohexyl-(4-fluoro-3-methoxyphenyl)methyl]ethanamine
CID 114981149

Frequently Asked Questions

What is the IUPAC name of N-[cycloheptyl-(3,4-dimethylphenyl)methyl]ethanamine?
The IUPAC name of N-[cycloheptyl-(3,4-dimethylphenyl)methyl]ethanamine (CID 63507724) is N-[cycloheptyl-(3,4-dimethylphenyl)methyl]ethanamine.
What is the SMILES notation for N-[cycloheptyl-(3,4-dimethylphenyl)methyl]ethanamine?
The canonical SMILES for N-[cycloheptyl-(3,4-dimethylphenyl)methyl]ethanamine is CCNC(c1ccc(C)c(C)c1)C1CCCCCC1.
What is the InChIKey of N-[cycloheptyl-(3,4-dimethylphenyl)methyl]ethanamine?
The InChIKey is ZEXNRCOAQNCZMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N/c1-4-19-18(16-9-7-5-6-8-10-16)17-12-11-14(2)15(3)13-17/h11-13,16,18-19H,4-10H2,1-3H3.
What are the key properties of N-[cycloheptyl-(3,4-dimethylphenyl)methyl]ethanamine?
N-[cycloheptyl-(3,4-dimethylphenyl)methyl]ethanamine has a molecular weight of 259.44 g/mol, XLogP of 4.92, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cycloheptyl-(3,4-dimethylphenyl)methyl]ethanamine is sourced from PubChem (CID 63507724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).