1-(1-methoxycycloheptyl)-N-methyl-2-(3-methylphenyl)ethanamine

C18H29NO — CID 116770183

IUPAC1-(1-methoxycycloheptyl)-N-methyl-2-(3-methylphenyl)ethanamine
SMILESCNC(Cc1cccc(C)c1)C1(OC)CCCCCC1
InChIInChI=1S/C18H29NO/c1-15-9-8-10-16(13-15)14-17(19-2)18(20-3)11-6-4-5-7-12-18/h8-10,13,17,19H,4-7,11-12,14H2,1-3H3
InChIKeyHKPFKSCNFPMPFP-UHFFFAOYSA-N
MW275.44 g/mol
LogP3.86
Rot. Bonds5

About 1-(1-methoxycycloheptyl)-N-methyl-2-(3-methylphenyl)ethanamine

1-(1-methoxycycloheptyl)-N-methyl-2-(3-methylphenyl)ethanamine (PubChem CID 116770183) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is 1-(1-methoxycycloheptyl)-N-methyl-2-(3-methylphenyl)ethanamine.

Molecular Properties

Compound Name1-(1-methoxycycloheptyl)-N-methyl-2-(3-methylphenyl)ethanamine
PubChem CID116770183
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name1-(1-methoxycycloheptyl)-N-methyl-2-(3-methylphenyl)ethanamine
SMILESCNC(Cc1cccc(C)c1)C1(OC)CCCCCC1
InChIInChI=1S/C18H29NO/c1-15-9-8-10-16(13-15)14-17(19-2)18(20-3)11-6-4-5-7-12-18/h8-10,13,17,19H,4-7,11-12,14H2,1-3H3
InChIKeyHKPFKSCNFPMPFP-UHFFFAOYSA-N
XLogP3.86
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 ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-ethoxycyclopentyl)-N-methyl-2-(3-methylphenyl)ethanamine
CID 116762035
2-(3-bromophenyl)-1-(1-methoxycycloheptyl)-N-methylethanamine
CID 116770088
2-(3,4-dimethylphenyl)-1-(1-methoxycycloheptyl)-N-methylethanamine
CID 116770211
2-(3,4-dimethylphenyl)-1-(1-methoxycyclohexyl)-N-methylethanamine
CID 116763039
2-(2,5-dimethylphenyl)-1-(1-methoxycycloheptyl)-N-methylethanamine
CID 116770210
2-(2,5-dimethylphenyl)-1-(1-methoxycyclopentyl)-N-methylethanamine
CID 104610924
1-(1-methoxycyclohexyl)-N-methyl-2-(2-methylphenyl)ethanamine
CID 116762893
N-ethyl-1-(4-methoxyoxan-4-yl)-2-(3-methylphenyl)ethanamine
CID 116765029
1-(1-ethoxycyclopentyl)-N-ethyl-2-(3-methylphenyl)ethanamine
CID 116762276
2-(3-bromophenyl)-1-(4-methoxyoxan-4-yl)-N-methylethanamine
CID 116764666
N-[1-(4-methoxyoxan-4-yl)-2-(3-methylphenyl)ethyl]propan-1-amine
CID 116765216
2-(3,5-dimethylphenyl)-1-(4-methoxyoxan-4-yl)-N-methylethanamine
CID 116764669

Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxycycloheptyl)-N-methyl-2-(3-methylphenyl)ethanamine?
The IUPAC name of 1-(1-methoxycycloheptyl)-N-methyl-2-(3-methylphenyl)ethanamine (CID 116770183) is 1-(1-methoxycycloheptyl)-N-methyl-2-(3-methylphenyl)ethanamine.
What is the SMILES notation for 1-(1-methoxycycloheptyl)-N-methyl-2-(3-methylphenyl)ethanamine?
The canonical SMILES for 1-(1-methoxycycloheptyl)-N-methyl-2-(3-methylphenyl)ethanamine is CNC(Cc1cccc(C)c1)C1(OC)CCCCCC1.
What is the InChIKey of 1-(1-methoxycycloheptyl)-N-methyl-2-(3-methylphenyl)ethanamine?
The InChIKey is HKPFKSCNFPMPFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-15-9-8-10-16(13-15)14-17(19-2)18(20-3)11-6-4-5-7-12-18/h8-10,13,17,19H,4-7,11-12,14H2,1-3H3.
What are the key properties of 1-(1-methoxycycloheptyl)-N-methyl-2-(3-methylphenyl)ethanamine?
1-(1-methoxycycloheptyl)-N-methyl-2-(3-methylphenyl)ethanamine has a molecular weight of 275.44 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxycycloheptyl)-N-methyl-2-(3-methylphenyl)ethanamine is sourced from PubChem (CID 116770183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).