N-[(1-methoxycycloheptyl)-(3-methoxyphenyl)methyl]ethanamine

C18H29NO2 — CID 116770319

IUPACN-[(1-methoxycycloheptyl)-(3-methoxyphenyl)methyl]ethanamine
SMILESCCNC(c1cccc(OC)c1)C1(OC)CCCCCC1
InChIInChI=1S/C18H29NO2/c1-4-19-17(15-10-9-11-16(14-15)20-2)18(21-3)12-7-5-6-8-13-18/h9-11,14,17,19H,4-8,12-13H2,1-3H3
InChIKeyKPOXZAKNFFZAAB-UHFFFAOYSA-N
MW291.43 g/mol
LogP4.09
Rot. Bonds6

About N-[(1-methoxycycloheptyl)-(3-methoxyphenyl)methyl]ethanamine

N-[(1-methoxycycloheptyl)-(3-methoxyphenyl)methyl]ethanamine (PubChem CID 116770319) has the molecular formula C18H29NO2 and a molecular weight of 291.43 g/mol. Its IUPAC name is N-[(1-methoxycycloheptyl)-(3-methoxyphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(1-methoxycycloheptyl)-(3-methoxyphenyl)methyl]ethanamine
PubChem CID116770319
Molecular FormulaC18H29NO2
Molecular Weight291.43 g/mol
Exact Mass291.22
IUPAC NameN-[(1-methoxycycloheptyl)-(3-methoxyphenyl)methyl]ethanamine
SMILESCCNC(c1cccc(OC)c1)C1(OC)CCCCCC1
InChIInChI=1S/C18H29NO2/c1-4-19-17(15-10-9-11-16(14-15)20-2)18(21-3)12-7-5-6-8-13-18/h9-11,14,17,19H,4-8,12-13H2,1-3H3
InChIKeyKPOXZAKNFFZAAB-UHFFFAOYSA-N
XLogP4.09
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.43
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-methoxycyclohexyl)-1-(3-methoxyphenyl)-N-methylmethanamine
CID 116762916
[(1-methoxycycloheptyl)-(3-methoxyphenyl)methyl]hydrazine
CID 105278241
N-[(1-methoxycyclobutyl)-(3-propan-2-yloxyphenyl)methyl]ethanamine
CID 116714647
N-[(3,4-dichlorophenyl)-(1-methoxycyclopentyl)methyl]ethanamine
CID 104611302
N-[(1-methoxycyclopentyl)-(4-methylphenyl)methyl]ethanamine
CID 104611192
N-[(2,5-dimethoxyphenyl)-(1-methoxycyclobutyl)methyl]ethanamine
CID 116714651
N-[(1-ethoxycyclohexyl)-(3-methylphenyl)methyl]ethanamine
CID 116764104
(1-ethoxycyclohexyl)-(3-methoxyphenyl)methanamine
CID 116763600
N-[(1-ethoxycycloheptyl)-(3-fluorophenyl)methyl]ethanamine
CID 116771021
N-[(1-methoxycyclohexyl)-(5-methyl-3-pyridinyl)methyl]ethanamine
CID 116763272
N-[(2,4-difluorophenyl)-(1-methoxycyclohexyl)methyl]ethanamine
CID 116763237
N-[(4-ethylphenyl)-(1-methoxycyclobutyl)methyl]ethanamine
CID 116714561

Frequently Asked Questions

What is the IUPAC name of N-[(1-methoxycycloheptyl)-(3-methoxyphenyl)methyl]ethanamine?
The IUPAC name of N-[(1-methoxycycloheptyl)-(3-methoxyphenyl)methyl]ethanamine (CID 116770319) is N-[(1-methoxycycloheptyl)-(3-methoxyphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(1-methoxycycloheptyl)-(3-methoxyphenyl)methyl]ethanamine?
The canonical SMILES for N-[(1-methoxycycloheptyl)-(3-methoxyphenyl)methyl]ethanamine is CCNC(c1cccc(OC)c1)C1(OC)CCCCCC1.
What is the InChIKey of N-[(1-methoxycycloheptyl)-(3-methoxyphenyl)methyl]ethanamine?
The InChIKey is KPOXZAKNFFZAAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-4-19-17(15-10-9-11-16(14-15)20-2)18(21-3)12-7-5-6-8-13-18/h9-11,14,17,19H,4-8,12-13H2,1-3H3.
What are the key properties of N-[(1-methoxycycloheptyl)-(3-methoxyphenyl)methyl]ethanamine?
N-[(1-methoxycycloheptyl)-(3-methoxyphenyl)methyl]ethanamine has a molecular weight of 291.43 g/mol, XLogP of 4.09, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methoxycycloheptyl)-(3-methoxyphenyl)methyl]ethanamine is sourced from PubChem (CID 116770319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).