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

C18H22FN — CID 63424528

IUPACN-ethyl-1-[4-(4-fluoro-3-methylphenyl)phenyl]propan-1-amine
SMILESCCNC(CC)c1ccc(-c2ccc(F)c(C)c2)cc1
InChIInChI=1S/C18H22FN/c1-4-18(20-5-2)15-8-6-14(7-9-15)16-10-11-17(19)13(3)12-16/h6-12,18,20H,4-5H2,1-3H3
InChIKeyVORAJEAVRNJEHA-UHFFFAOYSA-N
MW271.38 g/mol
LogP4.86
Rot. Bonds5

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

N-ethyl-1-[4-(4-fluoro-3-methylphenyl)phenyl]propan-1-amine (PubChem CID 63424528) has the molecular formula C18H22FN and a molecular weight of 271.38 g/mol. Its IUPAC name is N-ethyl-1-[4-(4-fluoro-3-methylphenyl)phenyl]propan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-[4-(4-fluoro-3-methylphenyl)phenyl]propan-1-amine
PubChem CID63424528
Molecular FormulaC18H22FN
Molecular Weight271.38 g/mol
Exact Mass271.17
IUPAC NameN-ethyl-1-[4-(4-fluoro-3-methylphenyl)phenyl]propan-1-amine
SMILESCCNC(CC)c1ccc(-c2ccc(F)c(C)c2)cc1
InChIInChI=1S/C18H22FN/c1-4-18(20-5-2)15-8-6-14(7-9-15)16-10-11-17(19)13(3)12-16/h6-12,18,20H,4-5H2,1-3H3
InChIKeyVORAJEAVRNJEHA-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

1-[4-(4-fluoro-3-methylphenyl)phenyl]-N-methylpropan-1-amine
CID 54912003
2-(ethylamino)-2-(4-fluoro-3-methylphenyl)ethanol
CID 62119943
N-ethyl-1-(4-fluoro-3-methylphenyl)-N',N'-dimethylethane-1,2-diamine
CID 79092535
1-(4-fluoro-3-methylphenyl)-N-methylpropan-1-amine
CID 60929376
N,2-diethyl-1-(4-fluoro-3-methylphenyl)butan-1-amine
CID 79747552
N-ethyl-1-(4-fluoro-3-methylphenyl)-2-(4-methylphenyl)sulfanylethanamine
CID 66064232
4-[4-[1-(ethylamino)propyl]phenyl]-N,N-dimethylaniline
CID 61025300
N-[(4-fluoro-3-methoxyphenyl)-(4-fluoro-3-methylphenyl)methyl]ethanamine
CID 81288473
1-[3-(2,4-difluoro-5-methylphenyl)phenyl]-N-ethylpropan-1-amine
CID 79735816
2-(ethylamino)-1-(4-fluoro-3-methylphenyl)butan-1-ol
CID 82315086
N-[(4-fluoro-3-methylphenyl)methyl]-1-(4-methoxyphenyl)propan-1-amine
CID 62121628
3-(ethylamino)-3-(4-fluoro-3-methylphenyl)propanamide
CID 65234003

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[4-(4-fluoro-3-methylphenyl)phenyl]propan-1-amine?
The IUPAC name of N-ethyl-1-[4-(4-fluoro-3-methylphenyl)phenyl]propan-1-amine (CID 63424528) is N-ethyl-1-[4-(4-fluoro-3-methylphenyl)phenyl]propan-1-amine.
What is the SMILES notation for N-ethyl-1-[4-(4-fluoro-3-methylphenyl)phenyl]propan-1-amine?
The canonical SMILES for N-ethyl-1-[4-(4-fluoro-3-methylphenyl)phenyl]propan-1-amine is CCNC(CC)c1ccc(-c2ccc(F)c(C)c2)cc1.
What is the InChIKey of N-ethyl-1-[4-(4-fluoro-3-methylphenyl)phenyl]propan-1-amine?
The InChIKey is VORAJEAVRNJEHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN/c1-4-18(20-5-2)15-8-6-14(7-9-15)16-10-11-17(19)13(3)12-16/h6-12,18,20H,4-5H2,1-3H3.
What are the key properties of N-ethyl-1-[4-(4-fluoro-3-methylphenyl)phenyl]propan-1-amine?
N-ethyl-1-[4-(4-fluoro-3-methylphenyl)phenyl]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-ethyl-1-[4-(4-fluoro-3-methylphenyl)phenyl]propan-1-amine is sourced from PubChem (CID 63424528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).