N-[3-(2,5-difluoro-4-methoxyphenyl)butyl]cyclopropanamine

C14H19F2NO — CID 112514733

IUPACN-[3-(2,5-difluoro-4-methoxyphenyl)butyl]cyclopropanamine
SMILESCOc1cc(F)c(C(C)CCNC2CC2)cc1F
InChIInChI=1S/C14H19F2NO/c1-9(5-6-17-10-3-4-10)11-7-13(16)14(18-2)8-12(11)15/h7-10,17H,3-6H2,1-2H3
InChIKeyALQMAEWMEODJFF-UHFFFAOYSA-N
MW255.31 g/mol
LogP3.22
Rot. Bonds6

About N-[3-(2,5-difluoro-4-methoxyphenyl)butyl]cyclopropanamine

N-[3-(2,5-difluoro-4-methoxyphenyl)butyl]cyclopropanamine (PubChem CID 112514733) has the molecular formula C14H19F2NO and a molecular weight of 255.31 g/mol. Its IUPAC name is N-[3-(2,5-difluoro-4-methoxyphenyl)butyl]cyclopropanamine.

Molecular Properties

Compound NameN-[3-(2,5-difluoro-4-methoxyphenyl)butyl]cyclopropanamine
PubChem CID112514733
Molecular FormulaC14H19F2NO
Molecular Weight255.31 g/mol
Exact Mass255.14
IUPAC NameN-[3-(2,5-difluoro-4-methoxyphenyl)butyl]cyclopropanamine
SMILESCOc1cc(F)c(C(C)CCNC2CC2)cc1F
InChIInChI=1S/C14H19F2NO/c1-9(5-6-17-10-3-4-10)11-7-13(16)14(18-2)8-12(11)15/h7-10,17H,3-6H2,1-2H3
InChIKeyALQMAEWMEODJFF-UHFFFAOYSA-N
XLogP3.22
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[3-(2,5-difluoro-4-methoxyphenyl)butyl]cyclopropanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-(4-methoxy-2,3-dimethylphenyl)butyl]cyclopropanamine
CID 112514545
N-[5-(2-fluoro-4,5-dimethoxyphenyl)-3-methylpentyl]cyclopropanamine
CID 65303943
N-[4-(3-fluoro-4-methoxyphenyl)-3-methylbutyl]cyclopropanamine
CID 81020121
N-[3-(2,3,4-trifluorophenyl)butyl]cyclopropanamine
CID 81018961
3-(2,4-difluoro-5-methoxyphenyl)butan-1-amine
CID 117306573
N-[3-(2,6-difluorophenyl)butyl]cyclopropanamine
CID 81018611
cyclopropyl-(2,5-difluoro-4-methoxyphenyl)methanamine
CID 130024487
N-[3-(2,6-difluoro-3-methylphenyl)butyl]cyclopropanamine
CID 82827539
N-[6-(3-fluoro-4-methoxyphenyl)hexyl]cyclopropanamine
CID 65306006
N-[3-(2-propoxyphenyl)butyl]cyclopropanamine
CID 113438607
N-[3-(2-methylthiophen-3-yl)butyl]cyclopropanamine
CID 102838929
N-[4-(3-fluoro-4-methoxyphenyl)-2,3-dimethylbutyl]cyclopropanamine
CID 81015306

Frequently Asked Questions

What is the IUPAC name of N-[3-(2,5-difluoro-4-methoxyphenyl)butyl]cyclopropanamine?
The IUPAC name of N-[3-(2,5-difluoro-4-methoxyphenyl)butyl]cyclopropanamine (CID 112514733) is N-[3-(2,5-difluoro-4-methoxyphenyl)butyl]cyclopropanamine.
What is the SMILES notation for N-[3-(2,5-difluoro-4-methoxyphenyl)butyl]cyclopropanamine?
The canonical SMILES for N-[3-(2,5-difluoro-4-methoxyphenyl)butyl]cyclopropanamine is COc1cc(F)c(C(C)CCNC2CC2)cc1F.
What is the InChIKey of N-[3-(2,5-difluoro-4-methoxyphenyl)butyl]cyclopropanamine?
The InChIKey is ALQMAEWMEODJFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NO/c1-9(5-6-17-10-3-4-10)11-7-13(16)14(18-2)8-12(11)15/h7-10,17H,3-6H2,1-2H3.
What are the key properties of N-[3-(2,5-difluoro-4-methoxyphenyl)butyl]cyclopropanamine?
N-[3-(2,5-difluoro-4-methoxyphenyl)butyl]cyclopropanamine has a molecular weight of 255.31 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,5-difluoro-4-methoxyphenyl)butyl]cyclopropanamine is sourced from PubChem (CID 112514733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).