N-[cyclopropyl-(4-fluorophenyl)methyl]-2-ethyl-6-methylaniline

C19H22FN — CID 63448207

IUPACN-[cyclopropyl-(4-fluorophenyl)methyl]-2-ethyl-6-methylaniline
SMILESCCc1cccc(C)c1NC(c1ccc(F)cc1)C1CC1
InChIInChI=1S/C19H22FN/c1-3-14-6-4-5-13(2)18(14)21-19(15-7-8-15)16-9-11-17(20)12-10-16/h4-6,9-12,15,19,21H,3,7-8H2,1-2H3
InChIKeyCNWDFVMCPJFUDH-UHFFFAOYSA-N
MW283.39 g/mol
LogP5.26
Rot. Bonds5

About N-[cyclopropyl-(4-fluorophenyl)methyl]-2-ethyl-6-methylaniline

N-[cyclopropyl-(4-fluorophenyl)methyl]-2-ethyl-6-methylaniline (PubChem CID 63448207) has the molecular formula C19H22FN and a molecular weight of 283.39 g/mol. Its IUPAC name is N-[cyclopropyl-(4-fluorophenyl)methyl]-2-ethyl-6-methylaniline.

Molecular Properties

Compound NameN-[cyclopropyl-(4-fluorophenyl)methyl]-2-ethyl-6-methylaniline
PubChem CID63448207
Molecular FormulaC19H22FN
Molecular Weight283.39 g/mol
Exact Mass283.17
IUPAC NameN-[cyclopropyl-(4-fluorophenyl)methyl]-2-ethyl-6-methylaniline
SMILESCCc1cccc(C)c1NC(c1ccc(F)cc1)C1CC1
InChIInChI=1S/C19H22FN/c1-3-14-6-4-5-13(2)18(14)21-19(15-7-8-15)16-9-11-17(20)12-10-16/h4-6,9-12,15,19,21H,3,7-8H2,1-2H3
InChIKeyCNWDFVMCPJFUDH-UHFFFAOYSA-N
XLogP5.26
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500283.39
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(1-cyclopentylethyl)-2-ethyl-6-methylaniline
CID 63448490
4-bromo-N-[cyclopropyl-(4-fluorophenyl)methyl]-2,6-dimethylaniline
CID 63449370
2-chloro-N-[cyclopropyl-(4-fluorophenyl)methyl]-4-methylpyridin-3-amine
CID 65483337
2-ethyl-6-methyl-N-[1-(1-methylpiperidin-4-yl)ethyl]aniline
CID 54862093
4-bromo-N-[cyclopropyl-(4-fluorophenyl)methyl]-2-ethylaniline
CID 81287071
2-ethyl-N-[1-(1-ethylpiperidin-4-yl)ethyl]-6-methylaniline
CID 60924899
N-[cyclopropyl-(4-fluorophenyl)methyl]-4-fluoroaniline
CID 43763011
N-[cyclopropyl-(4-fluorophenyl)methyl]-4-propan-2-ylaniline
CID 43760606
N-[(4-chlorophenyl)-cyclopropylmethyl]-2,6-difluoroaniline
CID 43773132
N-[cyclopropyl-(4-methylphenyl)methyl]-4-fluoro-2-methylaniline
CID 43764890
N-[1-(4-chlorophenyl)ethyl]-2-ethyl-6-methylaniline
CID 63448610
2-bromo-N-[cyclopropyl-(4-methylphenyl)methyl]-6-fluoroaniline
CID 107598013

Frequently Asked Questions

What is the IUPAC name of N-[cyclopropyl-(4-fluorophenyl)methyl]-2-ethyl-6-methylaniline?
The IUPAC name of N-[cyclopropyl-(4-fluorophenyl)methyl]-2-ethyl-6-methylaniline (CID 63448207) is N-[cyclopropyl-(4-fluorophenyl)methyl]-2-ethyl-6-methylaniline.
What is the SMILES notation for N-[cyclopropyl-(4-fluorophenyl)methyl]-2-ethyl-6-methylaniline?
The canonical SMILES for N-[cyclopropyl-(4-fluorophenyl)methyl]-2-ethyl-6-methylaniline is CCc1cccc(C)c1NC(c1ccc(F)cc1)C1CC1.
What is the InChIKey of N-[cyclopropyl-(4-fluorophenyl)methyl]-2-ethyl-6-methylaniline?
The InChIKey is CNWDFVMCPJFUDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN/c1-3-14-6-4-5-13(2)18(14)21-19(15-7-8-15)16-9-11-17(20)12-10-16/h4-6,9-12,15,19,21H,3,7-8H2,1-2H3.
What are the key properties of N-[cyclopropyl-(4-fluorophenyl)methyl]-2-ethyl-6-methylaniline?
N-[cyclopropyl-(4-fluorophenyl)methyl]-2-ethyl-6-methylaniline has a molecular weight of 283.39 g/mol, XLogP of 5.26, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopropyl-(4-fluorophenyl)methyl]-2-ethyl-6-methylaniline is sourced from PubChem (CID 63448207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).