N-[(4-fluoronaphthalen-1-yl)methyl]butan-2-amine

C15H18FN — CID 114088251

IUPACN-[(4-fluoronaphthalen-1-yl)methyl]butan-2-amine
SMILESCCC(C)NCc1ccc(F)c2ccccc12
InChIInChI=1S/C15H18FN/c1-3-11(2)17-10-12-8-9-15(16)14-7-5-4-6-13(12)14/h4-9,11,17H,3,10H2,1-2H3
InChIKeyQRSDYZBUIVFQMW-UHFFFAOYSA-N
MW231.31 g/mol
LogP3.87
Rot. Bonds4

About N-[(4-fluoronaphthalen-1-yl)methyl]butan-2-amine

N-[(4-fluoronaphthalen-1-yl)methyl]butan-2-amine (PubChem CID 114088251) has the molecular formula C15H18FN and a molecular weight of 231.31 g/mol. Its IUPAC name is N-[(4-fluoronaphthalen-1-yl)methyl]butan-2-amine.

Molecular Properties

Compound NameN-[(4-fluoronaphthalen-1-yl)methyl]butan-2-amine
PubChem CID114088251
Molecular FormulaC15H18FN
Molecular Weight231.31 g/mol
Exact Mass231.14
IUPAC NameN-[(4-fluoronaphthalen-1-yl)methyl]butan-2-amine
SMILESCCC(C)NCc1ccc(F)c2ccccc12
InChIInChI=1S/C15H18FN/c1-3-11(2)17-10-12-8-9-15(16)14-7-5-4-6-13(12)14/h4-9,11,17H,3,10H2,1-2H3
InChIKeyQRSDYZBUIVFQMW-UHFFFAOYSA-N
XLogP3.87
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.31
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[(4-fluoronaphthalen-1-yl)methyl]butan-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-[(2,4-difluorophenyl)methyl]butan-2-amine
CID 43177291
(2R)-N-[(2,5-difluorophenyl)methyl]butan-2-amine
CID 93284909
(2R)-N-(1H-indol-3-ylmethyl)butan-2-amine
CID 92864086
N-(quinolin-5-ylmethyl)butan-2-amine
CID 62340535
1-fluoro-4-(2-methylpropyl)naphthalene
CID 58853997
N-[(2,6-difluorophenyl)methyl]butan-2-amine
CID 43177297
(2S)-N-[[1-[(2-fluorophenyl)methyl]indol-3-yl]methyl]butan-2-amine
CID 124823609
N-[(2-methylphenyl)methyl]butan-2-amine chloride
CID 19629109
N-[2-[2-(4-fluoronaphthalen-1-yl)ethoxy]ethyl]propan-2-amine
CID 65305034
5-(4-fluoronaphthalen-1-yl)-N-propan-2-ylpentan-1-amine
CID 65305205
3-[(butan-2-ylamino)methyl]-4-fluorobenzoic acid
CID 107452341
N-[(2,6-difluoro-3-methylphenyl)methyl]butan-2-amine
CID 82814305

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluoronaphthalen-1-yl)methyl]butan-2-amine?
The IUPAC name of N-[(4-fluoronaphthalen-1-yl)methyl]butan-2-amine (CID 114088251) is N-[(4-fluoronaphthalen-1-yl)methyl]butan-2-amine.
What is the SMILES notation for N-[(4-fluoronaphthalen-1-yl)methyl]butan-2-amine?
The canonical SMILES for N-[(4-fluoronaphthalen-1-yl)methyl]butan-2-amine is CCC(C)NCc1ccc(F)c2ccccc12.
What is the InChIKey of N-[(4-fluoronaphthalen-1-yl)methyl]butan-2-amine?
The InChIKey is QRSDYZBUIVFQMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN/c1-3-11(2)17-10-12-8-9-15(16)14-7-5-4-6-13(12)14/h4-9,11,17H,3,10H2,1-2H3.
What are the key properties of N-[(4-fluoronaphthalen-1-yl)methyl]butan-2-amine?
N-[(4-fluoronaphthalen-1-yl)methyl]butan-2-amine has a molecular weight of 231.31 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluoronaphthalen-1-yl)methyl]butan-2-amine is sourced from PubChem (CID 114088251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).