5-fluoro-2-methyl-N-[1-(4-propan-2-ylphenyl)ethyl]aniline

C18H22FN — CID 43109585

IUPAC5-fluoro-2-methyl-N-[1-(4-propan-2-ylphenyl)ethyl]aniline
SMILESCc1ccc(F)cc1NC(C)c1ccc(C(C)C)cc1
InChIInChI=1S/C18H22FN/c1-12(2)15-6-8-16(9-7-15)14(4)20-18-11-17(19)10-5-13(18)3/h5-12,14,20H,1-4H3
InChIKeyNEIZXABCRAUWLH-UHFFFAOYSA-N
MW271.38 g/mol
LogP5.43
Rot. Bonds4

About 5-fluoro-2-methyl-N-[1-(4-propan-2-ylphenyl)ethyl]aniline

5-fluoro-2-methyl-N-[1-(4-propan-2-ylphenyl)ethyl]aniline (PubChem CID 43109585) has the molecular formula C18H22FN and a molecular weight of 271.38 g/mol. Its IUPAC name is 5-fluoro-2-methyl-N-[1-(4-propan-2-ylphenyl)ethyl]aniline.

Molecular Properties

Compound Name5-fluoro-2-methyl-N-[1-(4-propan-2-ylphenyl)ethyl]aniline
PubChem CID43109585
Molecular FormulaC18H22FN
Molecular Weight271.38 g/mol
Exact Mass271.17
IUPAC Name5-fluoro-2-methyl-N-[1-(4-propan-2-ylphenyl)ethyl]aniline
SMILESCc1ccc(F)cc1NC(C)c1ccc(C(C)C)cc1
InChIInChI=1S/C18H22FN/c1-12(2)15-6-8-16(9-7-15)14(4)20-18-11-17(19)10-5-13(18)3/h5-12,14,20H,1-4H3
InChIKeyNEIZXABCRAUWLH-UHFFFAOYSA-N
XLogP5.43
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500271.38
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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5-fluoro-2-methyl-N-(1-naphthalen-2-ylethyl)aniline
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5-fluoro-2-methyl-N-[1-(4-propan-2-yloxyphenyl)ethyl]aniline
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5-fluoro-N-[1-(5-fluoro-3-pyridinyl)ethyl]-2-methylaniline
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N-[1-(3-bromophenyl)ethyl]-5-fluoro-2-methylaniline
CID 43093379
N-[1-(1,3-benzodioxol-5-yl)ethyl]-5-fluoro-2-methylaniline
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N-[1-(2,5-difluorophenyl)ethyl]-5-fluoro-2-methylaniline
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4-methyl-3-[1-(4-propan-2-ylphenyl)ethylamino]benzonitrile
CID 63476911
2-chloro-4-fluoro-N-[1-(4-fluorophenyl)ethyl]aniline
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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-methyl-N-[1-(4-propan-2-ylphenyl)ethyl]aniline?
The IUPAC name of 5-fluoro-2-methyl-N-[1-(4-propan-2-ylphenyl)ethyl]aniline (CID 43109585) is 5-fluoro-2-methyl-N-[1-(4-propan-2-ylphenyl)ethyl]aniline.
What is the SMILES notation for 5-fluoro-2-methyl-N-[1-(4-propan-2-ylphenyl)ethyl]aniline?
The canonical SMILES for 5-fluoro-2-methyl-N-[1-(4-propan-2-ylphenyl)ethyl]aniline is Cc1ccc(F)cc1NC(C)c1ccc(C(C)C)cc1.
What is the InChIKey of 5-fluoro-2-methyl-N-[1-(4-propan-2-ylphenyl)ethyl]aniline?
The InChIKey is NEIZXABCRAUWLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN/c1-12(2)15-6-8-16(9-7-15)14(4)20-18-11-17(19)10-5-13(18)3/h5-12,14,20H,1-4H3.
What are the key properties of 5-fluoro-2-methyl-N-[1-(4-propan-2-ylphenyl)ethyl]aniline?
5-fluoro-2-methyl-N-[1-(4-propan-2-ylphenyl)ethyl]aniline has a molecular weight of 271.38 g/mol, XLogP of 5.43, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-methyl-N-[1-(4-propan-2-ylphenyl)ethyl]aniline is sourced from PubChem (CID 43109585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).