N-[cycloheptyl-(3-methoxy-4-methylphenyl)methyl]ethanamine

C18H29NO — CID 105027735

IUPACN-[cycloheptyl-(3-methoxy-4-methylphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(C)c(OC)c1)C1CCCCCC1
InChIInChI=1S/C18H29NO/c1-4-19-18(15-9-7-5-6-8-10-15)16-12-11-14(2)17(13-16)20-3/h11-13,15,18-19H,4-10H2,1-3H3
InChIKeyZKVHNZUOZHQDKU-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.62
Rot. Bonds5

About N-[cycloheptyl-(3-methoxy-4-methylphenyl)methyl]ethanamine

N-[cycloheptyl-(3-methoxy-4-methylphenyl)methyl]ethanamine (PubChem CID 105027735) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is N-[cycloheptyl-(3-methoxy-4-methylphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[cycloheptyl-(3-methoxy-4-methylphenyl)methyl]ethanamine
PubChem CID105027735
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC NameN-[cycloheptyl-(3-methoxy-4-methylphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(C)c(OC)c1)C1CCCCCC1
InChIInChI=1S/C18H29NO/c1-4-19-18(15-9-7-5-6-8-10-15)16-12-11-14(2)17(13-16)20-3/h11-13,15,18-19H,4-10H2,1-3H3
InChIKeyZKVHNZUOZHQDKU-UHFFFAOYSA-N
XLogP4.62
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[cycloheptyl-(3,4-dimethoxyphenyl)methyl]ethanamine
CID 62587576
N-[(3-methoxy-4-methylphenyl)-(4-methylcyclohexyl)methyl]ethanamine
CID 104988039
N-[cycloheptyl-(3,4-dimethylphenyl)methyl]ethanamine
CID 63507724
N-[cyclohexyl-(4-fluoro-3-methoxyphenyl)methyl]ethanamine
CID 114981149
[cyclohexyl-(3-methoxy-4-methylphenyl)methyl]hydrazine
CID 105281985
N-[(3-bromo-4-methoxyphenyl)-cyclooctylmethyl]ethanamine
CID 65018549
N-[(3-methoxy-4-methylphenyl)-(4-methylcyclohexyl)methyl]propan-1-amine
CID 104988004
N-[cycloheptyl-(4-fluoro-3-methoxyphenyl)methyl]propan-1-amine
CID 105027607
N-[cyclopentyl-(3-methoxyphenyl)methyl]ethanamine
CID 60797775
N-[2-cyclohexyl-2-(3-methoxy-4-methylphenyl)ethyl]propan-2-amine
CID 82924013
N-[cyclooctyl-(2-methoxy-5-methylphenyl)methyl]ethanamine
CID 65018169
N-[cycloheptyl-(2-methoxy-4,6-dimethylphenyl)methyl]ethanamine
CID 106680669

Frequently Asked Questions

What is the IUPAC name of N-[cycloheptyl-(3-methoxy-4-methylphenyl)methyl]ethanamine?
The IUPAC name of N-[cycloheptyl-(3-methoxy-4-methylphenyl)methyl]ethanamine (CID 105027735) is N-[cycloheptyl-(3-methoxy-4-methylphenyl)methyl]ethanamine.
What is the SMILES notation for N-[cycloheptyl-(3-methoxy-4-methylphenyl)methyl]ethanamine?
The canonical SMILES for N-[cycloheptyl-(3-methoxy-4-methylphenyl)methyl]ethanamine is CCNC(c1ccc(C)c(OC)c1)C1CCCCCC1.
What is the InChIKey of N-[cycloheptyl-(3-methoxy-4-methylphenyl)methyl]ethanamine?
The InChIKey is ZKVHNZUOZHQDKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-4-19-18(15-9-7-5-6-8-10-15)16-12-11-14(2)17(13-16)20-3/h11-13,15,18-19H,4-10H2,1-3H3.
What are the key properties of N-[cycloheptyl-(3-methoxy-4-methylphenyl)methyl]ethanamine?
N-[cycloheptyl-(3-methoxy-4-methylphenyl)methyl]ethanamine has a molecular weight of 275.44 g/mol, XLogP of 4.62, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cycloheptyl-(3-methoxy-4-methylphenyl)methyl]ethanamine is sourced from PubChem (CID 105027735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).