N-[(3-fluoro-5-methylphenyl)-(4-fluoro-2-methylphenyl)methyl]propan-1-amine

C18H21F2N — CID 81273573

IUPACN-[(3-fluoro-5-methylphenyl)-(4-fluoro-2-methylphenyl)methyl]propan-1-amine
SMILESCCCNC(c1cc(C)cc(F)c1)c1ccc(F)cc1C
InChIInChI=1S/C18H21F2N/c1-4-7-21-18(14-8-12(2)9-16(20)11-14)17-6-5-15(19)10-13(17)3/h5-6,8-11,18,21H,4,7H2,1-3H3
InChIKeyKFIGNBOYCQZECL-UHFFFAOYSA-N
MW289.37 g/mol
LogP4.67
Rot. Bonds5

About N-[(3-fluoro-5-methylphenyl)-(4-fluoro-2-methylphenyl)methyl]propan-1-amine

N-[(3-fluoro-5-methylphenyl)-(4-fluoro-2-methylphenyl)methyl]propan-1-amine (PubChem CID 81273573) has the molecular formula C18H21F2N and a molecular weight of 289.37 g/mol. Its IUPAC name is N-[(3-fluoro-5-methylphenyl)-(4-fluoro-2-methylphenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(3-fluoro-5-methylphenyl)-(4-fluoro-2-methylphenyl)methyl]propan-1-amine
PubChem CID81273573
Molecular FormulaC18H21F2N
Molecular Weight289.37 g/mol
Exact Mass289.16
IUPAC NameN-[(3-fluoro-5-methylphenyl)-(4-fluoro-2-methylphenyl)methyl]propan-1-amine
SMILESCCCNC(c1cc(C)cc(F)c1)c1ccc(F)cc1C
InChIInChI=1S/C18H21F2N/c1-4-7-21-18(14-8-12(2)9-16(20)11-14)17-6-5-15(19)10-13(17)3/h5-6,8-11,18,21H,4,7H2,1-3H3
InChIKeyKFIGNBOYCQZECL-UHFFFAOYSA-N
XLogP4.67
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.37
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(3,5-difluorophenyl)-(4-fluoro-2-methylphenyl)methyl]ethanamine
CID 62790553
N-[(2-bromo-4-fluorophenyl)-(3,5-dimethylphenyl)methyl]propan-1-amine
CID 115796443
N-[(3-bromo-5-fluorophenyl)-(2,4-dimethylphenyl)methyl]propan-1-amine
CID 43495490
N-[(2-bromo-4-methylphenyl)-(3-fluoro-5-methylphenyl)methyl]propan-1-amine
CID 105016395
N-[(2-fluoro-5-methylphenyl)-(4-fluoro-2-methylphenyl)methyl]propan-1-amine
CID 81268580
N-[(5-bromothiophen-3-yl)-(4-fluoro-2-methylphenyl)methyl]propan-1-amine
CID 105142862
N-[(4-fluoro-2-methylphenyl)-(3-iodophenyl)methyl]propan-1-amine
CID 115852372
N-[(2-chloro-4-fluorophenyl)-(4-fluoro-2-methylphenyl)methyl]propan-1-amine
CID 63419671
N-[(3-bromo-5-methylphenyl)-(4-fluoro-2-methylphenyl)methyl]ethanamine
CID 115852310
N-[(2-chloro-4-methylphenyl)-(4-fluoro-2-methylphenyl)methyl]propan-1-amine
CID 106857492
N-[(4-bromo-2-methylphenyl)-(4-fluorophenyl)methyl]propan-1-amine
CID 43629874
N-[(2-bromofuran-3-yl)-(3-fluoro-5-methylphenyl)methyl]propan-1-amine
CID 106858239

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-5-methylphenyl)-(4-fluoro-2-methylphenyl)methyl]propan-1-amine?
The IUPAC name of N-[(3-fluoro-5-methylphenyl)-(4-fluoro-2-methylphenyl)methyl]propan-1-amine (CID 81273573) is N-[(3-fluoro-5-methylphenyl)-(4-fluoro-2-methylphenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(3-fluoro-5-methylphenyl)-(4-fluoro-2-methylphenyl)methyl]propan-1-amine?
The canonical SMILES for N-[(3-fluoro-5-methylphenyl)-(4-fluoro-2-methylphenyl)methyl]propan-1-amine is CCCNC(c1cc(C)cc(F)c1)c1ccc(F)cc1C.
What is the InChIKey of N-[(3-fluoro-5-methylphenyl)-(4-fluoro-2-methylphenyl)methyl]propan-1-amine?
The InChIKey is KFIGNBOYCQZECL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F2N/c1-4-7-21-18(14-8-12(2)9-16(20)11-14)17-6-5-15(19)10-13(17)3/h5-6,8-11,18,21H,4,7H2,1-3H3.
What are the key properties of N-[(3-fluoro-5-methylphenyl)-(4-fluoro-2-methylphenyl)methyl]propan-1-amine?
N-[(3-fluoro-5-methylphenyl)-(4-fluoro-2-methylphenyl)methyl]propan-1-amine has a molecular weight of 289.37 g/mol, XLogP of 4.67, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluoro-5-methylphenyl)-(4-fluoro-2-methylphenyl)methyl]propan-1-amine is sourced from PubChem (CID 81273573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).