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

C18H22FN — CID 79692007

IUPACN-[[4-(3-fluoro-5-methylphenyl)-3-methylphenyl]methyl]propan-2-amine
SMILESCc1cc(F)cc(-c2ccc(CNC(C)C)cc2C)c1
InChIInChI=1S/C18H22FN/c1-12(2)20-11-15-5-6-18(14(4)9-15)16-7-13(3)8-17(19)10-16/h5-10,12,20H,11H2,1-4H3
InChIKeyDPTOKUCWAOUBAQ-UHFFFAOYSA-N
MW271.38 g/mol
LogP4.61
Rot. Bonds4

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

N-[[4-(3-fluoro-5-methylphenyl)-3-methylphenyl]methyl]propan-2-amine (PubChem CID 79692007) has the molecular formula C18H22FN and a molecular weight of 271.38 g/mol. Its IUPAC name is N-[[4-(3-fluoro-5-methylphenyl)-3-methylphenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[4-(3-fluoro-5-methylphenyl)-3-methylphenyl]methyl]propan-2-amine
PubChem CID79692007
Molecular FormulaC18H22FN
Molecular Weight271.38 g/mol
Exact Mass271.17
IUPAC NameN-[[4-(3-fluoro-5-methylphenyl)-3-methylphenyl]methyl]propan-2-amine
SMILESCc1cc(F)cc(-c2ccc(CNC(C)C)cc2C)c1
InChIInChI=1S/C18H22FN/c1-12(2)20-11-15-5-6-18(14(4)9-15)16-7-13(3)8-17(19)10-16/h5-10,12,20H,11H2,1-4H3
InChIKeyDPTOKUCWAOUBAQ-UHFFFAOYSA-N
XLogP4.61
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.38
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[4-(3-fluoro-5-methylphenyl)-3-methylphenyl]-N-methylmethanamine
CID 79690685
N-[[4-(4-ethylphenyl)-3-methylphenyl]methyl]propan-2-amine
CID 66480830
N-[[3-(3,5-difluorophenyl)-4-fluorophenyl]methyl]propan-2-amine
CID 61026035
N-[[4-(2-chloro-5-fluorophenyl)-3-methylphenyl]methyl]propan-2-amine
CID 105395728
N-[[4-(2,5-dimethylphenyl)-3-methylphenyl]methyl]propan-2-amine
CID 66481228
N,N-dimethyl-4-[2-methyl-4-[(propan-2-ylamino)methyl]phenyl]aniline
CID 66481601
N-[[4-(2,3-dihydro-1H-inden-5-yl)-3-methylphenyl]methyl]propan-2-amine
CID 66481639
N-[[3-(2,3-difluoro-4-methylphenyl)-4-methylphenyl]methyl]propan-2-amine
CID 107514165
N-[[4-(3,5-difluorophenyl)-3-methylphenyl]methyl]cyclopropanamine
CID 66479615
N-[[3-methyl-4-(3-propylphenyl)phenyl]methyl]propan-2-amine
CID 116545316
N-[[4-fluoro-3-(2-fluoro-4,6-dimethylphenyl)phenyl]methyl]propan-2-amine
CID 106882253
[4-(3,5-difluorophenyl)-3-methylphenyl]methanamine
CID 66479617

Frequently Asked Questions

What is the IUPAC name of N-[[4-(3-fluoro-5-methylphenyl)-3-methylphenyl]methyl]propan-2-amine?
The IUPAC name of N-[[4-(3-fluoro-5-methylphenyl)-3-methylphenyl]methyl]propan-2-amine (CID 79692007) is N-[[4-(3-fluoro-5-methylphenyl)-3-methylphenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[4-(3-fluoro-5-methylphenyl)-3-methylphenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[4-(3-fluoro-5-methylphenyl)-3-methylphenyl]methyl]propan-2-amine is Cc1cc(F)cc(-c2ccc(CNC(C)C)cc2C)c1.
What is the InChIKey of N-[[4-(3-fluoro-5-methylphenyl)-3-methylphenyl]methyl]propan-2-amine?
The InChIKey is DPTOKUCWAOUBAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN/c1-12(2)20-11-15-5-6-18(14(4)9-15)16-7-13(3)8-17(19)10-16/h5-10,12,20H,11H2,1-4H3.
What are the key properties of N-[[4-(3-fluoro-5-methylphenyl)-3-methylphenyl]methyl]propan-2-amine?
N-[[4-(3-fluoro-5-methylphenyl)-3-methylphenyl]methyl]propan-2-amine has a molecular weight of 271.38 g/mol, XLogP of 4.61, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(3-fluoro-5-methylphenyl)-3-methylphenyl]methyl]propan-2-amine is sourced from PubChem (CID 79692007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).