2-chloro-N-[cyclopropyl-(4-fluorophenyl)methyl]-5-methylaniline

C17H17ClFN — CID 107630861

IUPAC2-chloro-N-[cyclopropyl-(4-fluorophenyl)methyl]-5-methylaniline
SMILESCc1ccc(Cl)c(NC(c2ccc(F)cc2)C2CC2)c1
InChIInChI=1S/C17H17ClFN/c1-11-2-9-15(18)16(10-11)20-17(12-3-4-12)13-5-7-14(19)8-6-13/h2,5-10,12,17,20H,3-4H2,1H3
InChIKeyYAWZJHTYTKECLQ-UHFFFAOYSA-N
MW289.78 g/mol
LogP5.35
Rot. Bonds4

About 2-chloro-N-[cyclopropyl-(4-fluorophenyl)methyl]-5-methylaniline

2-chloro-N-[cyclopropyl-(4-fluorophenyl)methyl]-5-methylaniline (PubChem CID 107630861) has the molecular formula C17H17ClFN and a molecular weight of 289.78 g/mol. Its IUPAC name is 2-chloro-N-[cyclopropyl-(4-fluorophenyl)methyl]-5-methylaniline.

Molecular Properties

Compound Name2-chloro-N-[cyclopropyl-(4-fluorophenyl)methyl]-5-methylaniline
PubChem CID107630861
Molecular FormulaC17H17ClFN
Molecular Weight289.78 g/mol
Exact Mass289.10
IUPAC Name2-chloro-N-[cyclopropyl-(4-fluorophenyl)methyl]-5-methylaniline
SMILESCc1ccc(Cl)c(NC(c2ccc(F)cc2)C2CC2)c1
InChIInChI=1S/C17H17ClFN/c1-11-2-9-15(18)16(10-11)20-17(12-3-4-12)13-5-7-14(19)8-6-13/h2,5-10,12,17,20H,3-4H2,1H3
InChIKeyYAWZJHTYTKECLQ-UHFFFAOYSA-N
XLogP5.35
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.78
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[cyclopropyl-(4-methylphenyl)methyl]-2-fluoro-5-methylaniline
CID 43772771
2-chloro-N-[cyclopropyl-(4-fluorophenyl)methyl]-4-fluoroaniline
CID 43774044
N-[cyclopropyl-(4-methylphenyl)methyl]-4-fluoro-2-methylaniline
CID 43764890
N-[(4-chlorophenyl)-cyclopropylmethyl]-2,5-dimethylaniline
CID 43765901
3-chloro-N-[cyclopropyl-(4-fluorophenyl)methyl]-4-methylaniline
CID 43757451
N-[(4-chlorophenyl)-cyclopropylmethyl]-5-fluoro-2-methylaniline
CID 43764120
2-bromo-5-chloro-N-[cyclopropyl-(4-methylphenyl)methyl]-4-methylaniline
CID 104722918
2-bromo-N-[cyclopropyl-(4-fluorophenyl)methyl]-4-fluoroaniline
CID 43772571
2-bromo-N-[cyclopropyl-(4-methylphenyl)methyl]-4-methylaniline
CID 43757682
4-bromo-2,3-dichloro-N-[cyclopropyl-(4-fluorophenyl)methyl]aniline
CID 107787702
N-[(4-chlorophenyl)-cyclopropylmethyl]-2,5-difluoro-4-methylaniline
CID 103584657
N-[(4-chlorophenyl)-cyclopropylmethyl]-4-fluoro-2-methoxyaniline
CID 63453951

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[cyclopropyl-(4-fluorophenyl)methyl]-5-methylaniline?
The IUPAC name of 2-chloro-N-[cyclopropyl-(4-fluorophenyl)methyl]-5-methylaniline (CID 107630861) is 2-chloro-N-[cyclopropyl-(4-fluorophenyl)methyl]-5-methylaniline.
What is the SMILES notation for 2-chloro-N-[cyclopropyl-(4-fluorophenyl)methyl]-5-methylaniline?
The canonical SMILES for 2-chloro-N-[cyclopropyl-(4-fluorophenyl)methyl]-5-methylaniline is Cc1ccc(Cl)c(NC(c2ccc(F)cc2)C2CC2)c1.
What is the InChIKey of 2-chloro-N-[cyclopropyl-(4-fluorophenyl)methyl]-5-methylaniline?
The InChIKey is YAWZJHTYTKECLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClFN/c1-11-2-9-15(18)16(10-11)20-17(12-3-4-12)13-5-7-14(19)8-6-13/h2,5-10,12,17,20H,3-4H2,1H3.
What are the key properties of 2-chloro-N-[cyclopropyl-(4-fluorophenyl)methyl]-5-methylaniline?
2-chloro-N-[cyclopropyl-(4-fluorophenyl)methyl]-5-methylaniline has a molecular weight of 289.78 g/mol, XLogP of 5.35, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[cyclopropyl-(4-fluorophenyl)methyl]-5-methylaniline is sourced from PubChem (CID 107630861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).