N-[2-[(3-fluoro-4-methoxyphenyl)methyl]-2-methylpentyl]cyclopropanamine

C17H26FNO — CID 62723615

IUPACN-[2-[(3-fluoro-4-methoxyphenyl)methyl]-2-methylpentyl]cyclopropanamine
SMILESCCCC(C)(CNC1CC1)Cc1ccc(OC)c(F)c1
InChIInChI=1S/C17H26FNO/c1-4-9-17(2,12-19-14-6-7-14)11-13-5-8-16(20-3)15(18)10-13/h5,8,10,14,19H,4,6-7,9,11-12H2,1-3H3
InChIKeyCZKUNVMSAISMCN-UHFFFAOYSA-N
MW279.40 g/mol
LogP3.94
Rot. Bonds8

About N-[2-[(3-fluoro-4-methoxyphenyl)methyl]-2-methylpentyl]cyclopropanamine

N-[2-[(3-fluoro-4-methoxyphenyl)methyl]-2-methylpentyl]cyclopropanamine (PubChem CID 62723615) has the molecular formula C17H26FNO and a molecular weight of 279.40 g/mol. Its IUPAC name is N-[2-[(3-fluoro-4-methoxyphenyl)methyl]-2-methylpentyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-[(3-fluoro-4-methoxyphenyl)methyl]-2-methylpentyl]cyclopropanamine
PubChem CID62723615
Molecular FormulaC17H26FNO
Molecular Weight279.40 g/mol
Exact Mass279.20
IUPAC NameN-[2-[(3-fluoro-4-methoxyphenyl)methyl]-2-methylpentyl]cyclopropanamine
SMILESCCCC(C)(CNC1CC1)Cc1ccc(OC)c(F)c1
InChIInChI=1S/C17H26FNO/c1-4-9-17(2,12-19-14-6-7-14)11-13-5-8-16(20-3)15(18)10-13/h5,8,10,14,19H,4,6-7,9,11-12H2,1-3H3
InChIKeyCZKUNVMSAISMCN-UHFFFAOYSA-N
XLogP3.94
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.40
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopropyl-N'-[(3-fluoro-4-methoxyphenyl)methyl]-N',2,2-trimethylpropane-1,3-diamine
CID 62278153
N-[6-(3-fluoro-4-methoxyphenyl)hexyl]cyclopropanamine
CID 65306006
N-[4-(3-fluoro-4-methoxyphenyl)-2,3-dimethylbutyl]cyclopropanamine
CID 81015306
3-[(3-fluoro-4-methoxyphenyl)methyl]-N-propylcyclopentan-1-amine
CID 64506176
N-[4-(3-fluoro-4-methoxyphenyl)-3-methylbutyl]cyclopropanamine
CID 81020121
2-(aminomethyl)-3-(3-fluoro-4-methoxyphenyl)-2-methylpropan-1-ol
CID 106506240
2-amino-N-[2-(3-fluoro-4-methoxyphenyl)ethyl]-2-methylpentanamide
CID 119774865
N-[2-[(2,6-dichlorophenyl)methyl]-2-methylpentyl]cyclopropanamine
CID 63509602
2-[(3,4-difluorophenyl)methyl]-N-(2-methoxyethyl)-2-methylpentan-1-amine
CID 82929889
3-ethylsulfanyl-N-[(3-fluoro-4-methoxyphenyl)methyl]cyclopentan-1-amine
CID 103702271
N-[2-[(2,5-difluorophenyl)methyl]-2-methylbutyl]cyclopropanamine
CID 62717985
N-[2-(3-fluoro-4-methoxyphenyl)ethyl]piperidin-3-amine
CID 115118227

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-fluoro-4-methoxyphenyl)methyl]-2-methylpentyl]cyclopropanamine?
The IUPAC name of N-[2-[(3-fluoro-4-methoxyphenyl)methyl]-2-methylpentyl]cyclopropanamine (CID 62723615) is N-[2-[(3-fluoro-4-methoxyphenyl)methyl]-2-methylpentyl]cyclopropanamine.
What is the SMILES notation for N-[2-[(3-fluoro-4-methoxyphenyl)methyl]-2-methylpentyl]cyclopropanamine?
The canonical SMILES for N-[2-[(3-fluoro-4-methoxyphenyl)methyl]-2-methylpentyl]cyclopropanamine is CCCC(C)(CNC1CC1)Cc1ccc(OC)c(F)c1.
What is the InChIKey of N-[2-[(3-fluoro-4-methoxyphenyl)methyl]-2-methylpentyl]cyclopropanamine?
The InChIKey is CZKUNVMSAISMCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FNO/c1-4-9-17(2,12-19-14-6-7-14)11-13-5-8-16(20-3)15(18)10-13/h5,8,10,14,19H,4,6-7,9,11-12H2,1-3H3.
What are the key properties of N-[2-[(3-fluoro-4-methoxyphenyl)methyl]-2-methylpentyl]cyclopropanamine?
N-[2-[(3-fluoro-4-methoxyphenyl)methyl]-2-methylpentyl]cyclopropanamine has a molecular weight of 279.40 g/mol, XLogP of 3.94, 8 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)methyl]-2-methylpentyl]cyclopropanamine is sourced from PubChem (CID 62723615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).