N-[[1-[(2-fluoro-3-methoxyphenyl)methyl]cyclopropyl]methyl]ethanamine

C14H20FNO — CID 113453870

IUPACN-[[1-[(2-fluoro-3-methoxyphenyl)methyl]cyclopropyl]methyl]ethanamine
SMILESCCNCC1(Cc2cccc(OC)c2F)CC1
InChIInChI=1S/C14H20FNO/c1-3-16-10-14(7-8-14)9-11-5-4-6-12(17-2)13(11)15/h4-6,16H,3,7-10H2,1-2H3
InChIKeyYZGCBIXPNJUGBB-UHFFFAOYSA-N
MW237.32 g/mol
LogP2.77
Rot. Bonds6

About N-[[1-[(2-fluoro-3-methoxyphenyl)methyl]cyclopropyl]methyl]ethanamine

N-[[1-[(2-fluoro-3-methoxyphenyl)methyl]cyclopropyl]methyl]ethanamine (PubChem CID 113453870) has the molecular formula C14H20FNO and a molecular weight of 237.32 g/mol. Its IUPAC name is N-[[1-[(2-fluoro-3-methoxyphenyl)methyl]cyclopropyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-[(2-fluoro-3-methoxyphenyl)methyl]cyclopropyl]methyl]ethanamine
PubChem CID113453870
Molecular FormulaC14H20FNO
Molecular Weight237.32 g/mol
Exact Mass237.15
IUPAC NameN-[[1-[(2-fluoro-3-methoxyphenyl)methyl]cyclopropyl]methyl]ethanamine
SMILESCCNCC1(Cc2cccc(OC)c2F)CC1
InChIInChI=1S/C14H20FNO/c1-3-16-10-14(7-8-14)9-11-5-4-6-12(17-2)13(11)15/h4-6,16H,3,7-10H2,1-2H3
InChIKeyYZGCBIXPNJUGBB-UHFFFAOYSA-N
XLogP2.77
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[[1-[(2-fluoro-3-methoxyphenyl)methyl]cyclopropyl]methyl]ethanamine 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-[[1-[(2-fluoro-3-methoxyphenyl)methyl]cyclopentyl]methyl]ethanamine
CID 104794650
1-[1-[(2-fluoro-3-methoxyphenyl)methyl]cyclopropyl]-N-methylmethanamine
CID 104794707
1-[[1-(chloromethyl)cyclopropyl]methyl]-2-fluoro-3-methoxybenzene
CID 104795473
3-ethyl-3-[(2-fluoro-3-methoxyphenyl)methyl]azetidine
CID 104795594
N-[[1-[(2,3-difluorophenyl)methyl]cyclohexyl]methyl]ethanamine
CID 55106547
1-[3-[(2-fluoro-3-methoxyphenyl)methyl]-3-bicyclo[3.1.0]hexanyl]-N-methylmethanamine
CID 104794738
N-[[1-[(2-methoxy-5-methylphenyl)methyl]cyclopropyl]methyl]ethanamine
CID 66025990
[4-[(2-fluoro-3-methoxyphenyl)methyl]piperidin-4-yl]methanol
CID 104795426
N-[[1-[(2-methoxyphenyl)methyl]cyclopropyl]methyl]-2-methylpropan-1-amine
CID 66025587
1-[1-[(2-methoxyphenyl)methyl]cyclopropyl]-N-methylmethanamine
CID 66025080
N-[[3-[(2-fluoro-3-methoxyphenyl)methyl]-2-methyloxolan-3-yl]methyl]propan-1-amine
CID 114534573
N-[[1-[(2-fluorophenyl)methyl]cyclohexyl]methyl]ethanamine
CID 62726182

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2-fluoro-3-methoxyphenyl)methyl]cyclopropyl]methyl]ethanamine?
The IUPAC name of N-[[1-[(2-fluoro-3-methoxyphenyl)methyl]cyclopropyl]methyl]ethanamine (CID 113453870) is N-[[1-[(2-fluoro-3-methoxyphenyl)methyl]cyclopropyl]methyl]ethanamine.
What is the SMILES notation for N-[[1-[(2-fluoro-3-methoxyphenyl)methyl]cyclopropyl]methyl]ethanamine?
The canonical SMILES for N-[[1-[(2-fluoro-3-methoxyphenyl)methyl]cyclopropyl]methyl]ethanamine is CCNCC1(Cc2cccc(OC)c2F)CC1.
What is the InChIKey of N-[[1-[(2-fluoro-3-methoxyphenyl)methyl]cyclopropyl]methyl]ethanamine?
The InChIKey is YZGCBIXPNJUGBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO/c1-3-16-10-14(7-8-14)9-11-5-4-6-12(17-2)13(11)15/h4-6,16H,3,7-10H2,1-2H3.
What are the key properties of N-[[1-[(2-fluoro-3-methoxyphenyl)methyl]cyclopropyl]methyl]ethanamine?
N-[[1-[(2-fluoro-3-methoxyphenyl)methyl]cyclopropyl]methyl]ethanamine has a molecular weight of 237.32 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(2-fluoro-3-methoxyphenyl)methyl]cyclopropyl]methyl]ethanamine is sourced from PubChem (CID 113453870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).