1-[3-(cyclopropylmethoxy)-4-fluorophenyl]-N-methylmethanamine

C12H16FNO — CID 142360414

IUPAC1-[3-(cyclopropylmethoxy)-4-fluorophenyl]-N-methylmethanamine
SMILESCNCc1ccc(F)c(OCC2CC2)c1
InChIInChI=1S/C12H16FNO/c1-14-7-10-4-5-11(13)12(6-10)15-8-9-2-3-9/h4-6,9,14H,2-3,7-8H2,1H3
InChIKeyFLVYXSZTYQJCCS-UHFFFAOYSA-N
MW209.26 g/mol
LogP2.33
Rot. Bonds5

About 1-[3-(cyclopropylmethoxy)-4-fluorophenyl]-N-methylmethanamine

1-[3-(cyclopropylmethoxy)-4-fluorophenyl]-N-methylmethanamine (PubChem CID 142360414) has the molecular formula C12H16FNO and a molecular weight of 209.26 g/mol. Its IUPAC name is 1-[3-(cyclopropylmethoxy)-4-fluorophenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-(cyclopropylmethoxy)-4-fluorophenyl]-N-methylmethanamine
PubChem CID142360414
Molecular FormulaC12H16FNO
Molecular Weight209.26 g/mol
Exact Mass209.12
IUPAC Name1-[3-(cyclopropylmethoxy)-4-fluorophenyl]-N-methylmethanamine
SMILESCNCc1ccc(F)c(OCC2CC2)c1
InChIInChI=1S/C12H16FNO/c1-14-7-10-4-5-11(13)12(6-10)15-8-9-2-3-9/h4-6,9,14H,2-3,7-8H2,1H3
InChIKeyFLVYXSZTYQJCCS-UHFFFAOYSA-N
XLogP2.33
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.26
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[3-(cyclopropylmethoxy)-4-fluorophenyl]-N-methylmethanamine 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

1-[4-(cyclopentylmethoxy)-3-fluorophenyl]-N-methylmethanamine
CID 107686421
1-[3-(cyclopropylmethoxy)-4-nitrophenyl]-N-methylmethanamine
CID 62116913
1-[3-(cyclopropylmethoxy)-4-fluorophenyl]-N-methylethanamine
CID 142360265
(1S)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]-N,2-dimethylpropan-1-amine
CID 142399901
2-(cyclopropylmethoxy)-1-fluoro-4-iodobenzene
CID 131315534
1-[4-fluoro-3-(trifluoromethoxy)phenyl]-N-methylmethanamine
CID 70907082
1-[3-(cyclohexylmethoxymethyl)-4-fluorophenyl]-N-methylmethanamine
CID 107457623
2-(cyclopropylmethoxy)-1-fluoro-4-(trifluoromethyl)benzene
CID 58479337
1-[4-(cyclopropylmethoxymethoxy)-3-(trifluoromethyl)phenyl]-N-methylmethanamine
CID 106929309
(2S)-2-[3-(cyclopropylmethoxy)-4-fluorophenyl]-2-(methylaminomethyl)butanal
CID 143927058
N-[[4-(cyclopropylmethoxy)-3-methoxyphenyl]methyl]hydroxylamine
CID 117319960
4-tert-butyl-2-(cyclopentylmethoxy)-1-fluorobenzene
CID 135194896

Frequently Asked Questions

What is the IUPAC name of 1-[3-(cyclopropylmethoxy)-4-fluorophenyl]-N-methylmethanamine?
The IUPAC name of 1-[3-(cyclopropylmethoxy)-4-fluorophenyl]-N-methylmethanamine (CID 142360414) is 1-[3-(cyclopropylmethoxy)-4-fluorophenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-(cyclopropylmethoxy)-4-fluorophenyl]-N-methylmethanamine?
The canonical SMILES for 1-[3-(cyclopropylmethoxy)-4-fluorophenyl]-N-methylmethanamine is CNCc1ccc(F)c(OCC2CC2)c1.
What is the InChIKey of 1-[3-(cyclopropylmethoxy)-4-fluorophenyl]-N-methylmethanamine?
The InChIKey is FLVYXSZTYQJCCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO/c1-14-7-10-4-5-11(13)12(6-10)15-8-9-2-3-9/h4-6,9,14H,2-3,7-8H2,1H3.
What are the key properties of 1-[3-(cyclopropylmethoxy)-4-fluorophenyl]-N-methylmethanamine?
1-[3-(cyclopropylmethoxy)-4-fluorophenyl]-N-methylmethanamine has a molecular weight of 209.26 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(cyclopropylmethoxy)-4-fluorophenyl]-N-methylmethanamine is sourced from PubChem (CID 142360414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).