N-[(3-fluorophenyl)methyl]-3-methoxybutan-2-amine

C12H18FNO — CID 115708475

IUPACN-[(3-fluorophenyl)methyl]-3-methoxybutan-2-amine
SMILESCOC(C)C(C)NCc1cccc(F)c1
InChIInChI=1S/C12H18FNO/c1-9(10(2)15-3)14-8-11-5-4-6-12(13)7-11/h4-7,9-10,14H,8H2,1-3H3
InChIKeyIPZPAHBTWHKOCS-UHFFFAOYSA-N
MW211.28 g/mol
LogP2.34
Rot. Bonds5

About N-[(3-fluorophenyl)methyl]-3-methoxybutan-2-amine

N-[(3-fluorophenyl)methyl]-3-methoxybutan-2-amine (PubChem CID 115708475) has the molecular formula C12H18FNO and a molecular weight of 211.28 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-3-methoxybutan-2-amine.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-3-methoxybutan-2-amine
PubChem CID115708475
Molecular FormulaC12H18FNO
Molecular Weight211.28 g/mol
Exact Mass211.14
IUPAC NameN-[(3-fluorophenyl)methyl]-3-methoxybutan-2-amine
SMILESCOC(C)C(C)NCc1cccc(F)c1
InChIInChI=1S/C12H18FNO/c1-9(10(2)15-3)14-8-11-5-4-6-12(13)7-11/h4-7,9-10,14H,8H2,1-3H3
InChIKeyIPZPAHBTWHKOCS-UHFFFAOYSA-N
XLogP2.34
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.28
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(3-fluorophenyl)methyl]-3-methoxybutan-2-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

N-[(3-fluorophenyl)methyl]-3-methylbutan-2-amine
CID 43085072
3-[(3-fluorophenyl)methylamino]-2-methylbutan-1-ol
CID 111448702
1-(2,6-difluorophenyl)-N-[(3-fluorophenyl)methyl]ethanamine
CID 43123250
N-[1-(3-fluorophenyl)ethyl]-3-methoxybutan-2-amine
CID 115704684
1-(3-fluorophenyl)-3-methoxybutan-2-amine
CID 79615959
(2R)-N-[(3-fluorophenyl)methyl]-1-(4-methoxyphenyl)propan-2-amine
CID 7443154
1-(4-fluorophenyl)-N-[(3-fluorophenyl)methyl]propan-2-amine
CID 55026029
3-[(3-fluorophenyl)methylamino]butan-1-ol
CID 78997881
1-cyclopropyl-N-[(3-fluorophenyl)methyl]-2-methylpropan-1-amine
CID 115708476
2-[(3-fluorophenyl)methylamino]propanoic acid
CID 16768986
1-[(3-fluorophenyl)methylamino]propan-1-ol
CID 90777297
N-[[3-(difluoromethyl)phenyl]methyl]-1,1-dimethoxypropan-2-amine
CID 113328759

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-3-methoxybutan-2-amine?
The IUPAC name of N-[(3-fluorophenyl)methyl]-3-methoxybutan-2-amine (CID 115708475) is N-[(3-fluorophenyl)methyl]-3-methoxybutan-2-amine.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-3-methoxybutan-2-amine?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-3-methoxybutan-2-amine is COC(C)C(C)NCc1cccc(F)c1.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-3-methoxybutan-2-amine?
The InChIKey is IPZPAHBTWHKOCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FNO/c1-9(10(2)15-3)14-8-11-5-4-6-12(13)7-11/h4-7,9-10,14H,8H2,1-3H3.
What are the key properties of N-[(3-fluorophenyl)methyl]-3-methoxybutan-2-amine?
N-[(3-fluorophenyl)methyl]-3-methoxybutan-2-amine has a molecular weight of 211.28 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-3-methoxybutan-2-amine is sourced from PubChem (CID 115708475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).