N-[cycloheptyl-(4-fluoro-3-methoxyphenyl)methyl]propan-1-amine

C18H28FNO — CID 105027607

IUPACN-[cycloheptyl-(4-fluoro-3-methoxyphenyl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(F)c(OC)c1)C1CCCCCC1
InChIInChI=1S/C18H28FNO/c1-3-12-20-18(14-8-6-4-5-7-9-14)15-10-11-16(19)17(13-15)21-2/h10-11,13-14,18,20H,3-9,12H2,1-2H3
InChIKeyRVYRKBOOCHFIHB-UHFFFAOYSA-N
MW293.43 g/mol
LogP4.85
Rot. Bonds6

About N-[cycloheptyl-(4-fluoro-3-methoxyphenyl)methyl]propan-1-amine

N-[cycloheptyl-(4-fluoro-3-methoxyphenyl)methyl]propan-1-amine (PubChem CID 105027607) has the molecular formula C18H28FNO and a molecular weight of 293.43 g/mol. Its IUPAC name is N-[cycloheptyl-(4-fluoro-3-methoxyphenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[cycloheptyl-(4-fluoro-3-methoxyphenyl)methyl]propan-1-amine
PubChem CID105027607
Molecular FormulaC18H28FNO
Molecular Weight293.43 g/mol
Exact Mass293.22
IUPAC NameN-[cycloheptyl-(4-fluoro-3-methoxyphenyl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(F)c(OC)c1)C1CCCCCC1
InChIInChI=1S/C18H28FNO/c1-3-12-20-18(14-8-6-4-5-7-9-14)15-10-11-16(19)17(13-15)21-2/h10-11,13-14,18,20H,3-9,12H2,1-2H3
InChIKeyRVYRKBOOCHFIHB-UHFFFAOYSA-N
XLogP4.85
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.43
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[cyclohexyl-(4-fluoro-3-methoxyphenyl)methyl]ethanamine
CID 114981149
N-[(4-fluoro-3-methoxyphenyl)-(oxan-4-yl)methyl]propan-1-amine
CID 115855741
N-[cycloheptyl-(3-methoxy-4-methylphenyl)methyl]ethanamine
CID 105027735
N-[cycloheptyl-(3,4-dimethoxyphenyl)methyl]ethanamine
CID 62587576
N-[(4-chloro-2-methoxyphenyl)-cyclohexylmethyl]propan-1-amine
CID 114981230
N-[cycloheptyl-(3,4,5-trifluorophenyl)methyl]propan-1-amine
CID 82932686
N-[(3-methoxy-4-methylphenyl)-(4-methylcyclohexyl)methyl]propan-1-amine
CID 104988004
N-[(3-fluoro-4-methoxyphenyl)-(3-methylcyclopentyl)methyl]propan-1-amine
CID 65413801
N-[cycloheptyl-(3-methoxythiophen-2-yl)methyl]propan-1-amine
CID 105027707
N-[(3,4-difluorophenyl)-(3-methylcyclohexyl)methyl]propan-1-amine
CID 63415343
cycloheptyl-(4-fluoro-3-methoxyphenyl)methanol
CID 115829463
cyclohexyl-(4-fluoro-3-methoxyphenyl)methanamine
CID 83824510

Frequently Asked Questions

What is the IUPAC name of N-[cycloheptyl-(4-fluoro-3-methoxyphenyl)methyl]propan-1-amine?
The IUPAC name of N-[cycloheptyl-(4-fluoro-3-methoxyphenyl)methyl]propan-1-amine (CID 105027607) is N-[cycloheptyl-(4-fluoro-3-methoxyphenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[cycloheptyl-(4-fluoro-3-methoxyphenyl)methyl]propan-1-amine?
The canonical SMILES for N-[cycloheptyl-(4-fluoro-3-methoxyphenyl)methyl]propan-1-amine is CCCNC(c1ccc(F)c(OC)c1)C1CCCCCC1.
What is the InChIKey of N-[cycloheptyl-(4-fluoro-3-methoxyphenyl)methyl]propan-1-amine?
The InChIKey is RVYRKBOOCHFIHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28FNO/c1-3-12-20-18(14-8-6-4-5-7-9-14)15-10-11-16(19)17(13-15)21-2/h10-11,13-14,18,20H,3-9,12H2,1-2H3.
What are the key properties of N-[cycloheptyl-(4-fluoro-3-methoxyphenyl)methyl]propan-1-amine?
N-[cycloheptyl-(4-fluoro-3-methoxyphenyl)methyl]propan-1-amine has a molecular weight of 293.43 g/mol, XLogP of 4.85, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cycloheptyl-(4-fluoro-3-methoxyphenyl)methyl]propan-1-amine is sourced from PubChem (CID 105027607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).