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

C18H29NO2 — CID 62587576

IUPACN-[cycloheptyl-(3,4-dimethoxyphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(OC)c(OC)c1)C1CCCCCC1
InChIInChI=1S/C18H29NO2/c1-4-19-18(14-9-7-5-6-8-10-14)15-11-12-16(20-2)17(13-15)21-3/h11-14,18-19H,4-10H2,1-3H3
InChIKeyQMZXYZYOJBEMFN-UHFFFAOYSA-N
MW291.44 g/mol
LogP4.32
Rot. Bonds6

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

N-[cycloheptyl-(3,4-dimethoxyphenyl)methyl]ethanamine (PubChem CID 62587576) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is N-[cycloheptyl-(3,4-dimethoxyphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[cycloheptyl-(3,4-dimethoxyphenyl)methyl]ethanamine
PubChem CID62587576
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC NameN-[cycloheptyl-(3,4-dimethoxyphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(OC)c(OC)c1)C1CCCCCC1
InChIInChI=1S/C18H29NO2/c1-4-19-18(14-9-7-5-6-8-10-14)15-11-12-16(20-2)17(13-15)21-3/h11-14,18-19H,4-10H2,1-3H3
InChIKeyQMZXYZYOJBEMFN-UHFFFAOYSA-N
XLogP4.32
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[cycloheptyl-(3-methoxy-4-methylphenyl)methyl]ethanamine
CID 105027735
N-[(3-bromo-4-methoxyphenyl)-cyclooctylmethyl]ethanamine
CID 65018549
N-[cyclohexyl-(4-fluoro-3-methoxyphenyl)methyl]ethanamine
CID 114981149
N-[cycloheptyl-(3,4-dimethylphenyl)methyl]ethanamine
CID 63507724
N-[cyclooctyl-(2-methoxy-5-methylphenyl)methyl]ethanamine
CID 65018169
2-cyclohexyl-2-(3,4-dimethoxyphenyl)-N-ethylethanamine
CID 82924006
N-[cycloheptyl-(4-fluoro-3-methoxyphenyl)methyl]propan-1-amine
CID 105027607
N-[cyclopentyl-(3-methoxyphenyl)methyl]ethanamine
CID 60797775
N-[(R)-cyclopropyl-(3,4-dimethoxyphenyl)methyl]-2,2-diethoxyethanamine
CID 125466683
N-[(3-methoxy-4-methylphenyl)-(4-methylcyclohexyl)methyl]ethanamine
CID 104988039
N-[(3-bromo-4-propoxyphenyl)-cyclohexylmethyl]ethanamine
CID 104658059
N-[cyclopentyl-(2,5-dimethoxyphenyl)methyl]ethanamine
CID 43489527

Frequently Asked Questions

What is the IUPAC name of N-[cycloheptyl-(3,4-dimethoxyphenyl)methyl]ethanamine?
The IUPAC name of N-[cycloheptyl-(3,4-dimethoxyphenyl)methyl]ethanamine (CID 62587576) is N-[cycloheptyl-(3,4-dimethoxyphenyl)methyl]ethanamine.
What is the SMILES notation for N-[cycloheptyl-(3,4-dimethoxyphenyl)methyl]ethanamine?
The canonical SMILES for N-[cycloheptyl-(3,4-dimethoxyphenyl)methyl]ethanamine is CCNC(c1ccc(OC)c(OC)c1)C1CCCCCC1.
What is the InChIKey of N-[cycloheptyl-(3,4-dimethoxyphenyl)methyl]ethanamine?
The InChIKey is QMZXYZYOJBEMFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-4-19-18(14-9-7-5-6-8-10-14)15-11-12-16(20-2)17(13-15)21-3/h11-14,18-19H,4-10H2,1-3H3.
What are the key properties of N-[cycloheptyl-(3,4-dimethoxyphenyl)methyl]ethanamine?
N-[cycloheptyl-(3,4-dimethoxyphenyl)methyl]ethanamine has a molecular weight of 291.44 g/mol, XLogP of 4.32, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cycloheptyl-(3,4-dimethoxyphenyl)methyl]ethanamine is sourced from PubChem (CID 62587576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).