N-[cycloheptyl-(2-fluoro-4-methoxyphenyl)methyl]ethanamine

C17H26FNO — CID 63503561

IUPACN-[cycloheptyl-(2-fluoro-4-methoxyphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(OC)cc1F)C1CCCCCC1
InChIInChI=1S/C17H26FNO/c1-3-19-17(13-8-6-4-5-7-9-13)15-11-10-14(20-2)12-16(15)18/h10-13,17,19H,3-9H2,1-2H3
InChIKeyOAWZGOBHRDYODW-UHFFFAOYSA-N
MW279.40 g/mol
LogP4.46
Rot. Bonds5

About N-[cycloheptyl-(2-fluoro-4-methoxyphenyl)methyl]ethanamine

N-[cycloheptyl-(2-fluoro-4-methoxyphenyl)methyl]ethanamine (PubChem CID 63503561) has the molecular formula C17H26FNO and a molecular weight of 279.40 g/mol. Its IUPAC name is N-[cycloheptyl-(2-fluoro-4-methoxyphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[cycloheptyl-(2-fluoro-4-methoxyphenyl)methyl]ethanamine
PubChem CID63503561
Molecular FormulaC17H26FNO
Molecular Weight279.40 g/mol
Exact Mass279.20
IUPAC NameN-[cycloheptyl-(2-fluoro-4-methoxyphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(OC)cc1F)C1CCCCCC1
InChIInChI=1S/C17H26FNO/c1-3-19-17(13-8-6-4-5-7-9-13)15-11-10-14(20-2)12-16(15)18/h10-13,17,19H,3-9H2,1-2H3
InChIKeyOAWZGOBHRDYODW-UHFFFAOYSA-N
XLogP4.46
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.40
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[cyclopentyl-(2-fluoro-4-methoxyphenyl)methyl]propan-1-amine
CID 43561568
N-[(3-ethylcyclohexyl)-(2-fluoro-4-methoxyphenyl)methyl]ethanamine
CID 81301647
N-[(2-bromo-4-methoxyphenyl)-cyclohexylmethyl]ethanamine
CID 60787800
N-[cyclopentyl-(2,5-dimethoxyphenyl)methyl]ethanamine
CID 43489527
N-[(2-fluoro-4-methoxyphenyl)-(2-methylcyclopropyl)methyl]ethanamine
CID 43561496
3-cyclopentyl-N-ethyl-1-(2-fluoro-4-methoxyphenyl)propan-1-amine
CID 43561458
1-[bromo(cyclohexyl)methyl]-2-fluoro-4-methoxybenzene
CID 63443330
N-[cyclohexyl-(2,4-dimethoxyphenyl)methyl]propan-1-amine
CID 43496062
N-[1-(2-fluoro-4-methoxyphenyl)ethyl]cyclopentanamine
CID 43756493
(1R)-1-cycloheptyl-N-[1-(2-fluoro-4-methoxyphenyl)ethyl]ethanamine
CID 81391387
N-[(4-methoxy-2-methylphenyl)-(3-methylcyclohexyl)methyl]ethanamine
CID 65313720
N-[(3-ethyl-1,4-dithian-2-yl)-(2-fluoro-4-methoxyphenyl)methyl]ethanamine
CID 103395777

Frequently Asked Questions

What is the IUPAC name of N-[cycloheptyl-(2-fluoro-4-methoxyphenyl)methyl]ethanamine?
The IUPAC name of N-[cycloheptyl-(2-fluoro-4-methoxyphenyl)methyl]ethanamine (CID 63503561) is N-[cycloheptyl-(2-fluoro-4-methoxyphenyl)methyl]ethanamine.
What is the SMILES notation for N-[cycloheptyl-(2-fluoro-4-methoxyphenyl)methyl]ethanamine?
The canonical SMILES for N-[cycloheptyl-(2-fluoro-4-methoxyphenyl)methyl]ethanamine is CCNC(c1ccc(OC)cc1F)C1CCCCCC1.
What is the InChIKey of N-[cycloheptyl-(2-fluoro-4-methoxyphenyl)methyl]ethanamine?
The InChIKey is OAWZGOBHRDYODW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FNO/c1-3-19-17(13-8-6-4-5-7-9-13)15-11-10-14(20-2)12-16(15)18/h10-13,17,19H,3-9H2,1-2H3.
What are the key properties of N-[cycloheptyl-(2-fluoro-4-methoxyphenyl)methyl]ethanamine?
N-[cycloheptyl-(2-fluoro-4-methoxyphenyl)methyl]ethanamine has a molecular weight of 279.40 g/mol, XLogP of 4.46, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cycloheptyl-(2-fluoro-4-methoxyphenyl)methyl]ethanamine is sourced from PubChem (CID 63503561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).