N-[(4-chlorophenyl)-cyclopropylmethyl]-5-fluoro-2-methylaniline

C17H17ClFN — CID 43764120

IUPACN-[(4-chlorophenyl)-cyclopropylmethyl]-5-fluoro-2-methylaniline
SMILESCc1ccc(F)cc1NC(c1ccc(Cl)cc1)C1CC1
InChIInChI=1S/C17H17ClFN/c1-11-2-9-15(19)10-16(11)20-17(12-3-4-12)13-5-7-14(18)8-6-13/h2,5-10,12,17,20H,3-4H2,1H3
InChIKeyMLOHHZYMWYRBQF-UHFFFAOYSA-N
MW289.78 g/mol
LogP5.35
Rot. Bonds4

About N-[(4-chlorophenyl)-cyclopropylmethyl]-5-fluoro-2-methylaniline

N-[(4-chlorophenyl)-cyclopropylmethyl]-5-fluoro-2-methylaniline (PubChem CID 43764120) has the molecular formula C17H17ClFN and a molecular weight of 289.78 g/mol. Its IUPAC name is N-[(4-chlorophenyl)-cyclopropylmethyl]-5-fluoro-2-methylaniline.

Molecular Properties

Compound NameN-[(4-chlorophenyl)-cyclopropylmethyl]-5-fluoro-2-methylaniline
PubChem CID43764120
Molecular FormulaC17H17ClFN
Molecular Weight289.78 g/mol
Exact Mass289.10
IUPAC NameN-[(4-chlorophenyl)-cyclopropylmethyl]-5-fluoro-2-methylaniline
SMILESCc1ccc(F)cc1NC(c1ccc(Cl)cc1)C1CC1
InChIInChI=1S/C17H17ClFN/c1-11-2-9-15(19)10-16(11)20-17(12-3-4-12)13-5-7-14(18)8-6-13/h2,5-10,12,17,20H,3-4H2,1H3
InChIKeyMLOHHZYMWYRBQF-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-[(4-chlorophenyl)-cyclopropylmethyl]-2,5-dimethylaniline
CID 43765901
N-[(4-chlorophenyl)-cyclopropylmethyl]-2,5-difluoro-4-methylaniline
CID 103584657
N-[(4-chlorophenyl)-cyclopropylmethyl]-4-fluoro-2-methoxyaniline
CID 63453951
5-chloro-N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-methylaniline
CID 43755230
N-[cyclopropyl-(4-methylphenyl)methyl]-4-fluoro-2-methylaniline
CID 43764890
2-chloro-N-[cyclopropyl-(4-fluorophenyl)methyl]-4-fluoroaniline
CID 43774044
3-chloro-N-[cyclopropyl-(4-fluorophenyl)methyl]-4-methylaniline
CID 43757451
2-chloro-N-[cyclopropyl-(4-fluorophenyl)methyl]-5-methylaniline
CID 107630861
3-chloro-N-[(4-chlorophenyl)-cyclopropylmethyl]-4-methylaniline
CID 43757413
5-bromo-N-[(4-chlorophenyl)-cyclopropylmethyl]-2-fluoroaniline
CID 43777577
N-[(4-chlorophenyl)-cyclopropylmethyl]-4-methoxy-2-methylaniline
CID 63477376
N-[cyclopropyl-(4-methylphenyl)methyl]-2-fluoro-5-methylaniline
CID 43772771

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)-cyclopropylmethyl]-5-fluoro-2-methylaniline?
The IUPAC name of N-[(4-chlorophenyl)-cyclopropylmethyl]-5-fluoro-2-methylaniline (CID 43764120) is N-[(4-chlorophenyl)-cyclopropylmethyl]-5-fluoro-2-methylaniline.
What is the SMILES notation for N-[(4-chlorophenyl)-cyclopropylmethyl]-5-fluoro-2-methylaniline?
The canonical SMILES for N-[(4-chlorophenyl)-cyclopropylmethyl]-5-fluoro-2-methylaniline is Cc1ccc(F)cc1NC(c1ccc(Cl)cc1)C1CC1.
What is the InChIKey of N-[(4-chlorophenyl)-cyclopropylmethyl]-5-fluoro-2-methylaniline?
The InChIKey is MLOHHZYMWYRBQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClFN/c1-11-2-9-15(19)10-16(11)20-17(12-3-4-12)13-5-7-14(18)8-6-13/h2,5-10,12,17,20H,3-4H2,1H3.
What are the key properties of N-[(4-chlorophenyl)-cyclopropylmethyl]-5-fluoro-2-methylaniline?
N-[(4-chlorophenyl)-cyclopropylmethyl]-5-fluoro-2-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 N-[(4-chlorophenyl)-cyclopropylmethyl]-5-fluoro-2-methylaniline is sourced from PubChem (CID 43764120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).