3-(cyclopropylmethoxy)-N-[(2-fluoro-5-methylphenyl)methyl]propan-1-amine

C15H22FNO — CID 113237530

IUPAC3-(cyclopropylmethoxy)-N-[(2-fluoro-5-methylphenyl)methyl]propan-1-amine
SMILESCc1ccc(F)c(CNCCCOCC2CC2)c1
InChIInChI=1S/C15H22FNO/c1-12-3-6-15(16)14(9-12)10-17-7-2-8-18-11-13-4-5-13/h3,6,9,13,17H,2,4-5,7-8,10-11H2,1H3
InChIKeyXVPBYAGHICPKQS-UHFFFAOYSA-N
MW251.34 g/mol
LogP3.04
Rot. Bonds8

About 3-(cyclopropylmethoxy)-N-[(2-fluoro-5-methylphenyl)methyl]propan-1-amine

3-(cyclopropylmethoxy)-N-[(2-fluoro-5-methylphenyl)methyl]propan-1-amine (PubChem CID 113237530) has the molecular formula C15H22FNO and a molecular weight of 251.34 g/mol. Its IUPAC name is 3-(cyclopropylmethoxy)-N-[(2-fluoro-5-methylphenyl)methyl]propan-1-amine.

Molecular Properties

Compound Name3-(cyclopropylmethoxy)-N-[(2-fluoro-5-methylphenyl)methyl]propan-1-amine
PubChem CID113237530
Molecular FormulaC15H22FNO
Molecular Weight251.34 g/mol
Exact Mass251.17
IUPAC Name3-(cyclopropylmethoxy)-N-[(2-fluoro-5-methylphenyl)methyl]propan-1-amine
SMILESCc1ccc(F)c(CNCCCOCC2CC2)c1
InChIInChI=1S/C15H22FNO/c1-12-3-6-15(16)14(9-12)10-17-7-2-8-18-11-13-4-5-13/h3,6,9,13,17H,2,4-5,7-8,10-11H2,1H3
InChIKeyXVPBYAGHICPKQS-UHFFFAOYSA-N
XLogP3.04
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.34
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-(cyclopropylmethoxy)-N-[(2-fluoro-5-methylphenyl)methyl]propan-1-amine 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

3-(cyclopropylmethoxy)-N-[(2,5-dichlorophenyl)methyl]propan-1-amine
CID 103844888
N-[(2-fluoro-5-methylphenyl)methyl]pentan-1-amine
CID 115632172
3-[(2-fluoro-5-methylphenyl)methylamino]propan-1-ol
CID 115632162
2-[[3-(cyclopropylmethoxy)propylamino]methyl]-4-fluorophenol
CID 103948001
N-[(2-fluoro-5-methylphenyl)methyl]propan-1-amine
CID 61033992
4-[[(2-fluoro-5-methylphenyl)methylamino]methyl]cyclohexane-1-carboxylic acid
CID 106468033
3-(cyclopropylmethoxy)-N-[[2-(trifluoromethoxy)phenyl]methyl]propan-1-amine
CID 29298732
N-[(2-fluoro-5-methylphenyl)methyl]ethanamine
CID 61033867
3-(cyclopropylmethoxy)-N-[(4-methoxy-3-methylphenyl)methyl]propan-1-amine
CID 43233318
3-[[(2-fluoro-5-methylphenyl)methylamino]methyl]cyclohexan-1-ol
CID 113243257
N-[(2-bromo-4-methylphenyl)methyl]-3-(oxolan-2-ylmethoxy)propan-1-amine
CID 115556603
3-[[4-[[(2,5-dimethylphenyl)methylamino]methyl]cyclohexyl]methylamino]propan-1-ol
CID 59549336

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylmethoxy)-N-[(2-fluoro-5-methylphenyl)methyl]propan-1-amine?
The IUPAC name of 3-(cyclopropylmethoxy)-N-[(2-fluoro-5-methylphenyl)methyl]propan-1-amine (CID 113237530) is 3-(cyclopropylmethoxy)-N-[(2-fluoro-5-methylphenyl)methyl]propan-1-amine.
What is the SMILES notation for 3-(cyclopropylmethoxy)-N-[(2-fluoro-5-methylphenyl)methyl]propan-1-amine?
The canonical SMILES for 3-(cyclopropylmethoxy)-N-[(2-fluoro-5-methylphenyl)methyl]propan-1-amine is Cc1ccc(F)c(CNCCCOCC2CC2)c1.
What is the InChIKey of 3-(cyclopropylmethoxy)-N-[(2-fluoro-5-methylphenyl)methyl]propan-1-amine?
The InChIKey is XVPBYAGHICPKQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO/c1-12-3-6-15(16)14(9-12)10-17-7-2-8-18-11-13-4-5-13/h3,6,9,13,17H,2,4-5,7-8,10-11H2,1H3.
What are the key properties of 3-(cyclopropylmethoxy)-N-[(2-fluoro-5-methylphenyl)methyl]propan-1-amine?
3-(cyclopropylmethoxy)-N-[(2-fluoro-5-methylphenyl)methyl]propan-1-amine has a molecular weight of 251.34 g/mol, XLogP of 3.04, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylmethoxy)-N-[(2-fluoro-5-methylphenyl)methyl]propan-1-amine is sourced from PubChem (CID 113237530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).