3-chloro-N-[1-(2-fluorophenyl)propan-2-yl]-4-methylaniline

C16H17ClFN — CID 114827877

IUPAC3-chloro-N-[1-(2-fluorophenyl)propan-2-yl]-4-methylaniline
SMILESCc1ccc(NC(C)Cc2ccccc2F)cc1Cl
InChIInChI=1S/C16H17ClFN/c1-11-7-8-14(10-15(11)17)19-12(2)9-13-5-3-4-6-16(13)18/h3-8,10,12,19H,9H2,1-2H3
InChIKeyMIEOKEFHDFQSQP-UHFFFAOYSA-N
MW277.77 g/mol
LogP4.83
Rot. Bonds4

About 3-chloro-N-[1-(2-fluorophenyl)propan-2-yl]-4-methylaniline

3-chloro-N-[1-(2-fluorophenyl)propan-2-yl]-4-methylaniline (PubChem CID 114827877) has the molecular formula C16H17ClFN and a molecular weight of 277.77 g/mol. Its IUPAC name is 3-chloro-N-[1-(2-fluorophenyl)propan-2-yl]-4-methylaniline.

Molecular Properties

Compound Name3-chloro-N-[1-(2-fluorophenyl)propan-2-yl]-4-methylaniline
PubChem CID114827877
Molecular FormulaC16H17ClFN
Molecular Weight277.77 g/mol
Exact Mass277.10
IUPAC Name3-chloro-N-[1-(2-fluorophenyl)propan-2-yl]-4-methylaniline
SMILESCc1ccc(NC(C)Cc2ccccc2F)cc1Cl
InChIInChI=1S/C16H17ClFN/c1-11-7-8-14(10-15(11)17)19-12(2)9-13-5-3-4-6-16(13)18/h3-8,10,12,19H,9H2,1-2H3
InChIKeyMIEOKEFHDFQSQP-UHFFFAOYSA-N
XLogP4.83
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.77
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,6-dichloro-4-fluoro-N-[1-(2-fluorophenyl)propan-2-yl]aniline
CID 114830625
2,4,6-trichloro-N-[1-(2-fluorophenyl)propan-2-yl]aniline
CID 114828437
N-[1-(2-fluorophenyl)propan-2-yl]-3-iodoaniline
CID 114828426
[4-[1-(2-fluorophenyl)propan-2-ylamino]phenyl]methanol
CID 114830703
1-(3-chloro-4-methylphenyl)-2-(2-fluorophenyl)-N-methylethanamine
CID 63195375
3-fluoro-N-[1-(2-fluorophenyl)propan-2-yl]-4-nitroaniline
CID 114830485
N-[1-(2-fluorophenyl)propan-2-yl]-2-methyl-1,3-benzoxazol-5-amine
CID 114828353
2-fluoro-N-[1-(2-fluorophenyl)propan-2-yl]-6-methylaniline
CID 114830872
N-[1-(2-fluorophenyl)propan-2-yl]-4-propan-2-yloxyaniline
CID 114828418
N-[4-[1-(2-fluorophenyl)propan-2-ylamino]phenyl]acetamide
CID 114827852
4-(difluoromethoxy)-N-[1-(2-fluorophenyl)propan-2-yl]aniline
CID 114828280
3-(3-chloro-4-methylanilino)butanenitrile
CID 60913639

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[1-(2-fluorophenyl)propan-2-yl]-4-methylaniline?
The IUPAC name of 3-chloro-N-[1-(2-fluorophenyl)propan-2-yl]-4-methylaniline (CID 114827877) is 3-chloro-N-[1-(2-fluorophenyl)propan-2-yl]-4-methylaniline.
What is the SMILES notation for 3-chloro-N-[1-(2-fluorophenyl)propan-2-yl]-4-methylaniline?
The canonical SMILES for 3-chloro-N-[1-(2-fluorophenyl)propan-2-yl]-4-methylaniline is Cc1ccc(NC(C)Cc2ccccc2F)cc1Cl.
What is the InChIKey of 3-chloro-N-[1-(2-fluorophenyl)propan-2-yl]-4-methylaniline?
The InChIKey is MIEOKEFHDFQSQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClFN/c1-11-7-8-14(10-15(11)17)19-12(2)9-13-5-3-4-6-16(13)18/h3-8,10,12,19H,9H2,1-2H3.
What are the key properties of 3-chloro-N-[1-(2-fluorophenyl)propan-2-yl]-4-methylaniline?
3-chloro-N-[1-(2-fluorophenyl)propan-2-yl]-4-methylaniline has a molecular weight of 277.77 g/mol, XLogP of 4.83, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[1-(2-fluorophenyl)propan-2-yl]-4-methylaniline is sourced from PubChem (CID 114827877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).