N-[1-[3-(4-fluoro-3-methylphenyl)phenyl]ethyl]propan-1-amine

C18H22FN — CID 63424482

IUPACN-[1-[3-(4-fluoro-3-methylphenyl)phenyl]ethyl]propan-1-amine
SMILESCCCNC(C)c1cccc(-c2ccc(F)c(C)c2)c1
InChIInChI=1S/C18H22FN/c1-4-10-20-14(3)15-6-5-7-16(12-15)17-8-9-18(19)13(2)11-17/h5-9,11-12,14,20H,4,10H2,1-3H3
InChIKeyYHAJZJOLIIBDBY-UHFFFAOYSA-N
MW271.38 g/mol
LogP4.86
Rot. Bonds5

About N-[1-[3-(4-fluoro-3-methylphenyl)phenyl]ethyl]propan-1-amine

N-[1-[3-(4-fluoro-3-methylphenyl)phenyl]ethyl]propan-1-amine (PubChem CID 63424482) has the molecular formula C18H22FN and a molecular weight of 271.38 g/mol. Its IUPAC name is N-[1-[3-(4-fluoro-3-methylphenyl)phenyl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[3-(4-fluoro-3-methylphenyl)phenyl]ethyl]propan-1-amine
PubChem CID63424482
Molecular FormulaC18H22FN
Molecular Weight271.38 g/mol
Exact Mass271.17
IUPAC NameN-[1-[3-(4-fluoro-3-methylphenyl)phenyl]ethyl]propan-1-amine
SMILESCCCNC(C)c1cccc(-c2ccc(F)c(C)c2)c1
InChIInChI=1S/C18H22FN/c1-4-10-20-14(3)15-6-5-7-16(12-15)17-8-9-18(19)13(2)11-17/h5-9,11-12,14,20H,4,10H2,1-3H3
InChIKeyYHAJZJOLIIBDBY-UHFFFAOYSA-N
XLogP4.86
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.38
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-[3-(3-chloro-5-fluorophenyl)phenyl]ethyl]propan-1-amine
CID 115504675
N-[1-[3-(3,4-dichlorophenyl)phenyl]ethyl]propan-1-amine
CID 63424974
N-[1-(3-fluoro-4-methylphenyl)ethyl]propan-1-amine
CID 60820092
N-[1-[3-(3-methylthiophen-2-yl)phenyl]ethyl]propan-1-amine
CID 79996723
1-[3-(3-chloro-4-fluorophenyl)phenyl]-N-ethylethanamine
CID 115504411
N-[1-[3-(4-chloro-3-methoxyphenyl)phenyl]ethyl]propan-1-amine
CID 79699561
N-[1-[3-(2-chlorophenyl)phenyl]ethyl]propan-1-amine
CID 63424882
N-ethyl-1-[3-(2-fluoro-5-methylphenyl)phenyl]ethanamine
CID 54911693
3-[1-(propylamino)ethyl]benzenethiol
CID 64666341
N,N-dipropyl-3-[1-(propylamino)ethyl]aniline
CID 79678790
N-[1-[3-(1-ethyl-3-methylpyrazol-4-yl)phenyl]ethyl]propan-1-amine
CID 66021648
N-[1-[3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]phenyl]ethyl]propan-1-amine
CID 106783952

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(4-fluoro-3-methylphenyl)phenyl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[3-(4-fluoro-3-methylphenyl)phenyl]ethyl]propan-1-amine (CID 63424482) is N-[1-[3-(4-fluoro-3-methylphenyl)phenyl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[3-(4-fluoro-3-methylphenyl)phenyl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[3-(4-fluoro-3-methylphenyl)phenyl]ethyl]propan-1-amine is CCCNC(C)c1cccc(-c2ccc(F)c(C)c2)c1.
What is the InChIKey of N-[1-[3-(4-fluoro-3-methylphenyl)phenyl]ethyl]propan-1-amine?
The InChIKey is YHAJZJOLIIBDBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN/c1-4-10-20-14(3)15-6-5-7-16(12-15)17-8-9-18(19)13(2)11-17/h5-9,11-12,14,20H,4,10H2,1-3H3.
What are the key properties of N-[1-[3-(4-fluoro-3-methylphenyl)phenyl]ethyl]propan-1-amine?
N-[1-[3-(4-fluoro-3-methylphenyl)phenyl]ethyl]propan-1-amine has a molecular weight of 271.38 g/mol, XLogP of 4.86, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(4-fluoro-3-methylphenyl)phenyl]ethyl]propan-1-amine is sourced from PubChem (CID 63424482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).