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

C17H20FN — CID 54911620

IUPACN-[[4-(4-fluoro-3-methylphenyl)phenyl]methyl]propan-2-amine
SMILESCc1cc(-c2ccc(CNC(C)C)cc2)ccc1F
InChIInChI=1S/C17H20FN/c1-12(2)19-11-14-4-6-15(7-5-14)16-8-9-17(18)13(3)10-16/h4-10,12,19H,11H2,1-3H3
InChIKeyIDODOEWXKJTFFG-UHFFFAOYSA-N
MW257.35 g/mol
LogP4.30
Rot. Bonds4

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

N-[[4-(4-fluoro-3-methylphenyl)phenyl]methyl]propan-2-amine (PubChem CID 54911620) has the molecular formula C17H20FN and a molecular weight of 257.35 g/mol. Its IUPAC name is N-[[4-(4-fluoro-3-methylphenyl)phenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[4-(4-fluoro-3-methylphenyl)phenyl]methyl]propan-2-amine
PubChem CID54911620
Molecular FormulaC17H20FN
Molecular Weight257.35 g/mol
Exact Mass257.16
IUPAC NameN-[[4-(4-fluoro-3-methylphenyl)phenyl]methyl]propan-2-amine
SMILESCc1cc(-c2ccc(CNC(C)C)cc2)ccc1F
InChIInChI=1S/C17H20FN/c1-12(2)19-11-14-4-6-15(7-5-14)16-8-9-17(18)13(3)10-16/h4-10,12,19H,11H2,1-3H3
InChIKeyIDODOEWXKJTFFG-UHFFFAOYSA-N
XLogP4.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.35
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[4-(2,4-difluoro-5-methylphenyl)phenyl]methyl]propan-2-amine
CID 79732388
N-[[4-(2-fluoro-5-methylphenyl)phenyl]methyl]propan-2-amine
CID 54911501
N-[[4-(4-methoxy-3,5-dimethylphenyl)phenyl]methyl]propan-2-amine
CID 83046374
N-[[4-(2,4,5-trifluorophenyl)phenyl]methyl]propan-2-amine
CID 115503150
N-[[3-(3-fluoro-4-methylphenyl)phenyl]methyl]propan-2-amine
CID 115502487
N-[[4-(4-chlorophenyl)-2-fluorophenyl]methyl]propan-2-amine
CID 63424149
N-[[3-(2,4-difluoro-5-methylphenyl)-4-methylphenyl]methyl]propan-2-amine
CID 105410097
N-[[4-fluoro-3-(4-propan-2-ylphenyl)phenyl]methyl]propan-2-amine
CID 63424500
N,N'-di(propan-2-yl)ethane-1,2-diamine;N-[2-[2-(propan-2-ylamino)ethoxy]ethyl]propan-2-amine;N-[[4-[4-[(propan-2-ylamino)methyl]phenyl]phenyl]methyl]propan-2-amine
CID 159134090
2-fluoro-N,N-dimethyl-5-[(propan-2-ylamino)methyl]aniline
CID 84753813
N-[[3-(3,5-difluorophenyl)-4-fluorophenyl]methyl]propan-2-amine
CID 61026035
N-[(4-iodophenyl)methyl]propan-2-amine
CID 65499360

Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-fluoro-3-methylphenyl)phenyl]methyl]propan-2-amine?
The IUPAC name of N-[[4-(4-fluoro-3-methylphenyl)phenyl]methyl]propan-2-amine (CID 54911620) is N-[[4-(4-fluoro-3-methylphenyl)phenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[4-(4-fluoro-3-methylphenyl)phenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[4-(4-fluoro-3-methylphenyl)phenyl]methyl]propan-2-amine is Cc1cc(-c2ccc(CNC(C)C)cc2)ccc1F.
What is the InChIKey of N-[[4-(4-fluoro-3-methylphenyl)phenyl]methyl]propan-2-amine?
The InChIKey is IDODOEWXKJTFFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN/c1-12(2)19-11-14-4-6-15(7-5-14)16-8-9-17(18)13(3)10-16/h4-10,12,19H,11H2,1-3H3.
What are the key properties of N-[[4-(4-fluoro-3-methylphenyl)phenyl]methyl]propan-2-amine?
N-[[4-(4-fluoro-3-methylphenyl)phenyl]methyl]propan-2-amine has a molecular weight of 257.35 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-fluoro-3-methylphenyl)phenyl]methyl]propan-2-amine is sourced from PubChem (CID 54911620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).