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

C18H21F2N — CID 81268580

IUPACN-[(2-fluoro-5-methylphenyl)-(4-fluoro-2-methylphenyl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(F)cc1C)c1cc(C)ccc1F
InChIInChI=1S/C18H21F2N/c1-4-9-21-18(15-7-6-14(19)11-13(15)3)16-10-12(2)5-8-17(16)20/h5-8,10-11,18,21H,4,9H2,1-3H3
InChIKeyHTJHIADQQQRYAM-UHFFFAOYSA-N
MW289.37 g/mol
LogP4.67
Rot. Bonds5

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

N-[(2-fluoro-5-methylphenyl)-(4-fluoro-2-methylphenyl)methyl]propan-1-amine (PubChem CID 81268580) has the molecular formula C18H21F2N and a molecular weight of 289.37 g/mol. Its IUPAC name is N-[(2-fluoro-5-methylphenyl)-(4-fluoro-2-methylphenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2-fluoro-5-methylphenyl)-(4-fluoro-2-methylphenyl)methyl]propan-1-amine
PubChem CID81268580
Molecular FormulaC18H21F2N
Molecular Weight289.37 g/mol
Exact Mass289.16
IUPAC NameN-[(2-fluoro-5-methylphenyl)-(4-fluoro-2-methylphenyl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(F)cc1C)c1cc(C)ccc1F
InChIInChI=1S/C18H21F2N/c1-4-9-21-18(15-7-6-14(19)11-13(15)3)16-10-12(2)5-8-17(16)20/h5-8,10-11,18,21H,4,9H2,1-3H3
InChIKeyHTJHIADQQQRYAM-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-[(2-chloro-4-methylphenyl)-(4-fluoro-2-methylphenyl)methyl]propan-1-amine
CID 106857492
N-[(2,5-dichlorophenyl)-(4-fluoro-2-methylphenyl)methyl]propan-1-amine
CID 81268303
N-[(2-chloro-4-fluorophenyl)-(4-fluoro-2-methylphenyl)methyl]propan-1-amine
CID 63419671
N-[(2-chloro-4-fluorophenyl)-(2,5-dimethylphenyl)methyl]propan-1-amine
CID 43496133
N-[(3-fluoro-5-methylphenyl)-(4-fluoro-2-methylphenyl)methyl]propan-1-amine
CID 81273573
N-[(5-bromo-2-fluorophenyl)-(4-bromo-2-methylphenyl)methyl]propan-1-amine
CID 105011819
N-[(5-chloro-2-fluorophenyl)-(5-fluoro-2-methylphenyl)methyl]propan-1-amine
CID 114886623
N-[(2-bromo-4-chlorophenyl)-(2-fluoro-5-methylphenyl)methyl]propan-1-amine
CID 107992992
N-[(2-fluoro-5-methylphenyl)-(2-methoxyphenyl)methyl]propan-1-amine
CID 62790493
N-[(2,4-dibromophenyl)-(2-fluoro-5-methylphenyl)methyl]propan-1-amine
CID 107945688
N-[(2-fluoro-5-methylphenyl)-(5-fluoro-2-pyridinyl)methyl]propan-1-amine
CID 79712894
N-[(2-chloro-4-fluorophenyl)-(2,5-difluorophenyl)methyl]propan-1-amine
CID 43495680

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluoro-5-methylphenyl)-(4-fluoro-2-methylphenyl)methyl]propan-1-amine?
The IUPAC name of N-[(2-fluoro-5-methylphenyl)-(4-fluoro-2-methylphenyl)methyl]propan-1-amine (CID 81268580) is N-[(2-fluoro-5-methylphenyl)-(4-fluoro-2-methylphenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(2-fluoro-5-methylphenyl)-(4-fluoro-2-methylphenyl)methyl]propan-1-amine?
The canonical SMILES for N-[(2-fluoro-5-methylphenyl)-(4-fluoro-2-methylphenyl)methyl]propan-1-amine is CCCNC(c1ccc(F)cc1C)c1cc(C)ccc1F.
What is the InChIKey of N-[(2-fluoro-5-methylphenyl)-(4-fluoro-2-methylphenyl)methyl]propan-1-amine?
The InChIKey is HTJHIADQQQRYAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F2N/c1-4-9-21-18(15-7-6-14(19)11-13(15)3)16-10-12(2)5-8-17(16)20/h5-8,10-11,18,21H,4,9H2,1-3H3.
What are the key properties of N-[(2-fluoro-5-methylphenyl)-(4-fluoro-2-methylphenyl)methyl]propan-1-amine?
N-[(2-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-[(2-fluoro-5-methylphenyl)-(4-fluoro-2-methylphenyl)methyl]propan-1-amine is sourced from PubChem (CID 81268580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).