N-[(4-fluoro-2-methylphenyl)methyl]-3-(2-methylpropoxy)propan-1-amine

C15H24FNO — CID 62134218

IUPACN-[(4-fluoro-2-methylphenyl)methyl]-3-(2-methylpropoxy)propan-1-amine
SMILESCc1cc(F)ccc1CNCCCOCC(C)C
InChIInChI=1S/C15H24FNO/c1-12(2)11-18-8-4-7-17-10-14-5-6-15(16)9-13(14)3/h5-6,9,12,17H,4,7-8,10-11H2,1-3H3
InChIKeyMYBFGYMBQGZFMG-UHFFFAOYSA-N
MW253.36 g/mol
LogP3.29
Rot. Bonds8

About N-[(4-fluoro-2-methylphenyl)methyl]-3-(2-methylpropoxy)propan-1-amine

N-[(4-fluoro-2-methylphenyl)methyl]-3-(2-methylpropoxy)propan-1-amine (PubChem CID 62134218) has the molecular formula C15H24FNO and a molecular weight of 253.36 g/mol. Its IUPAC name is N-[(4-fluoro-2-methylphenyl)methyl]-3-(2-methylpropoxy)propan-1-amine.

Molecular Properties

Compound NameN-[(4-fluoro-2-methylphenyl)methyl]-3-(2-methylpropoxy)propan-1-amine
PubChem CID62134218
Molecular FormulaC15H24FNO
Molecular Weight253.36 g/mol
Exact Mass253.18
IUPAC NameN-[(4-fluoro-2-methylphenyl)methyl]-3-(2-methylpropoxy)propan-1-amine
SMILESCc1cc(F)ccc1CNCCCOCC(C)C
InChIInChI=1S/C15H24FNO/c1-12(2)11-18-8-4-7-17-10-14-5-6-15(16)9-13(14)3/h5-6,9,12,17H,4,7-8,10-11H2,1-3H3
InChIKeyMYBFGYMBQGZFMG-UHFFFAOYSA-N
XLogP3.29
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.36
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-bromo-2-fluorophenyl)methyl]-3-(2-methylpropoxy)propan-1-amine
CID 43242879
N-[(4-fluoro-2-methylphenyl)methyl]-4-methoxybutan-1-amine
CID 62134113
N-[(2-bromo-4-fluorophenyl)methyl]-2-(2-methylpropoxy)ethanamine
CID 115732113
N-[(2-fluorophenyl)methyl]-3-(2-methylpropoxy)propan-1-amine
CID 28681841
N-[(4-fluoro-2-methylphenyl)methyl]-5-iodopentan-1-amine
CID 107320083
N-[(2,4-difluorophenyl)methyl]-3-propan-2-yloxypropan-1-amine
CID 28726567
N-[(4-fluoro-2-methylphenyl)methyl]-2,3-dimethylbutan-1-amine
CID 64570448
N-[[5-fluoro-2-[2-(2-methylpropoxy)ethoxy]phenyl]methyl]propan-1-amine
CID 107695842
N-[(3-bromo-4-fluorophenyl)methyl]-3-(2-methylpropoxy)propan-1-amine
CID 28681813
N-[(4-methoxy-3-methylphenyl)methyl]-3-(2-methylpropoxy)propan-1-amine
CID 43233324
N-[(4-fluoro-2-methylphenyl)methyl]-1-methoxy-3-methylbutan-2-amine
CID 65048786
N-[[3-(difluoromethyl)phenyl]methyl]-3-(2-methylpropoxy)propan-1-amine
CID 115526053

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluoro-2-methylphenyl)methyl]-3-(2-methylpropoxy)propan-1-amine?
The IUPAC name of N-[(4-fluoro-2-methylphenyl)methyl]-3-(2-methylpropoxy)propan-1-amine (CID 62134218) is N-[(4-fluoro-2-methylphenyl)methyl]-3-(2-methylpropoxy)propan-1-amine.
What is the SMILES notation for N-[(4-fluoro-2-methylphenyl)methyl]-3-(2-methylpropoxy)propan-1-amine?
The canonical SMILES for N-[(4-fluoro-2-methylphenyl)methyl]-3-(2-methylpropoxy)propan-1-amine is Cc1cc(F)ccc1CNCCCOCC(C)C.
What is the InChIKey of N-[(4-fluoro-2-methylphenyl)methyl]-3-(2-methylpropoxy)propan-1-amine?
The InChIKey is MYBFGYMBQGZFMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FNO/c1-12(2)11-18-8-4-7-17-10-14-5-6-15(16)9-13(14)3/h5-6,9,12,17H,4,7-8,10-11H2,1-3H3.
What are the key properties of N-[(4-fluoro-2-methylphenyl)methyl]-3-(2-methylpropoxy)propan-1-amine?
N-[(4-fluoro-2-methylphenyl)methyl]-3-(2-methylpropoxy)propan-1-amine has a molecular weight of 253.36 g/mol, XLogP of 3.29, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluoro-2-methylphenyl)methyl]-3-(2-methylpropoxy)propan-1-amine is sourced from PubChem (CID 62134218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).