N-[[2-(3-fluoro-4-methoxyphenyl)cyclohexyl]methyl]-2-methylpropan-1-amine

C18H28FNO — CID 81027732

IUPACN-[[2-(3-fluoro-4-methoxyphenyl)cyclohexyl]methyl]-2-methylpropan-1-amine
SMILESCOc1ccc(C2CCCCC2CNCC(C)C)cc1F
InChIInChI=1S/C18H28FNO/c1-13(2)11-20-12-15-6-4-5-7-16(15)14-8-9-18(21-3)17(19)10-14/h8-10,13,15-16,20H,4-7,11-12H2,1-3H3
InChIKeyPEUCBRZKYKYCIE-UHFFFAOYSA-N
MW293.43 g/mol
LogP4.35
Rot. Bonds6

About N-[[2-(3-fluoro-4-methoxyphenyl)cyclohexyl]methyl]-2-methylpropan-1-amine

N-[[2-(3-fluoro-4-methoxyphenyl)cyclohexyl]methyl]-2-methylpropan-1-amine (PubChem CID 81027732) has the molecular formula C18H28FNO and a molecular weight of 293.43 g/mol. Its IUPAC name is N-[[2-(3-fluoro-4-methoxyphenyl)cyclohexyl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[2-(3-fluoro-4-methoxyphenyl)cyclohexyl]methyl]-2-methylpropan-1-amine
PubChem CID81027732
Molecular FormulaC18H28FNO
Molecular Weight293.43 g/mol
Exact Mass293.22
IUPAC NameN-[[2-(3-fluoro-4-methoxyphenyl)cyclohexyl]methyl]-2-methylpropan-1-amine
SMILESCOc1ccc(C2CCCCC2CNCC(C)C)cc1F
InChIInChI=1S/C18H28FNO/c1-13(2)11-20-12-15-6-4-5-7-16(15)14-8-9-18(21-3)17(19)10-14/h8-10,13,15-16,20H,4-7,11-12H2,1-3H3
InChIKeyPEUCBRZKYKYCIE-UHFFFAOYSA-N
XLogP4.35
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 ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-(3-fluoro-4-methoxyphenyl)cyclopropyl]methyl]-2-methylpropan-1-amine
CID 65101606
N-[[2-(3,4-dimethoxyphenyl)cyclobutyl]methyl]-2-methylpropan-1-amine
CID 81023599
N-[[2-(4-fluoro-3-methylphenyl)cycloheptyl]methyl]-2-methylpropan-1-amine
CID 81034748
N-[[2-(4-fluoro-3-methylphenyl)cyclopentyl]methyl]-2-methylpropan-1-amine
CID 81027541
[2-(3-fluoro-4-methoxyphenyl)cycloheptyl]methanamine
CID 81009542
N-[[2-(4-chlorophenyl)cyclohexyl]methyl]-2-methylpropan-1-amine
CID 81023967
1-[2-(3-fluoro-4-methoxyphenyl)cyclobutyl]-N-methylmethanamine
CID 81018324
N-[[2-(3,4-dimethoxyphenyl)cyclohexyl]methyl]ethanamine
CID 81026742
N-[[2-(3,5-difluorophenyl)cyclopentyl]methyl]-2-methylpropan-1-amine
CID 81028073
N-[[2-(4-ethylphenyl)cyclohexyl]methyl]-2-methylpropan-1-amine
CID 81024275
N-[[2-(5-fluoro-3-pyridinyl)cyclohexyl]methyl]-2-methylpropan-1-amine
CID 81024271
2-(3-fluoro-4-methoxyphenyl)cyclopentan-1-amine
CID 62795099

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-fluoro-4-methoxyphenyl)cyclohexyl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[2-(3-fluoro-4-methoxyphenyl)cyclohexyl]methyl]-2-methylpropan-1-amine (CID 81027732) is N-[[2-(3-fluoro-4-methoxyphenyl)cyclohexyl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[2-(3-fluoro-4-methoxyphenyl)cyclohexyl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[2-(3-fluoro-4-methoxyphenyl)cyclohexyl]methyl]-2-methylpropan-1-amine is COc1ccc(C2CCCCC2CNCC(C)C)cc1F.
What is the InChIKey of N-[[2-(3-fluoro-4-methoxyphenyl)cyclohexyl]methyl]-2-methylpropan-1-amine?
The InChIKey is PEUCBRZKYKYCIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28FNO/c1-13(2)11-20-12-15-6-4-5-7-16(15)14-8-9-18(21-3)17(19)10-14/h8-10,13,15-16,20H,4-7,11-12H2,1-3H3.
What are the key properties of N-[[2-(3-fluoro-4-methoxyphenyl)cyclohexyl]methyl]-2-methylpropan-1-amine?
N-[[2-(3-fluoro-4-methoxyphenyl)cyclohexyl]methyl]-2-methylpropan-1-amine has a molecular weight of 293.43 g/mol, XLogP of 4.35, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-fluoro-4-methoxyphenyl)cyclohexyl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 81027732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).