N-[cyclopropyl-(4-fluorophenyl)methyl]-1-(4-methylphenyl)ethanamine

C19H22FN — CID 60946052

IUPACN-[cyclopropyl-(4-fluorophenyl)methyl]-1-(4-methylphenyl)ethanamine
SMILESCc1ccc(C(C)NC(c2ccc(F)cc2)C2CC2)cc1
InChIInChI=1S/C19H22FN/c1-13-3-5-15(6-4-13)14(2)21-19(16-7-8-16)17-9-11-18(20)12-10-17/h3-6,9-12,14,16,19,21H,7-8H2,1-2H3
InChIKeyBAVJXXCQSVCZGG-UHFFFAOYSA-N
MW283.39 g/mol
LogP4.94
Rot. Bonds5

About N-[cyclopropyl-(4-fluorophenyl)methyl]-1-(4-methylphenyl)ethanamine

N-[cyclopropyl-(4-fluorophenyl)methyl]-1-(4-methylphenyl)ethanamine (PubChem CID 60946052) has the molecular formula C19H22FN and a molecular weight of 283.39 g/mol. Its IUPAC name is N-[cyclopropyl-(4-fluorophenyl)methyl]-1-(4-methylphenyl)ethanamine.

Molecular Properties

Compound NameN-[cyclopropyl-(4-fluorophenyl)methyl]-1-(4-methylphenyl)ethanamine
PubChem CID60946052
Molecular FormulaC19H22FN
Molecular Weight283.39 g/mol
Exact Mass283.17
IUPAC NameN-[cyclopropyl-(4-fluorophenyl)methyl]-1-(4-methylphenyl)ethanamine
SMILESCc1ccc(C(C)NC(c2ccc(F)cc2)C2CC2)cc1
InChIInChI=1S/C19H22FN/c1-13-3-5-15(6-4-13)14(2)21-19(16-7-8-16)17-9-11-18(20)12-10-17/h3-6,9-12,14,16,19,21H,7-8H2,1-2H3
InChIKeyBAVJXXCQSVCZGG-UHFFFAOYSA-N
XLogP4.94
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.39
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R)-N-[(4-chlorophenyl)-cyclopropylmethyl]-1-(4-fluorophenyl)ethanamine
CID 81351699
(1R)-N-[cyclopropyl-(4-fluorophenyl)methyl]-1-(3-methylphenyl)ethanamine
CID 81369428
1-cyclopropyl-N-[cyclopropyl-(4-methylphenyl)methyl]ethanamine
CID 43776551
N-[cyclopropyl-(4-methylphenyl)methyl]-3-methylbutan-2-amine
CID 43773888
N-[cyclopropyl-(4-fluorophenyl)methyl]but-3-yn-2-amine
CID 114414872
(1R)-1-cyclohexyl-N-[cyclopropyl-(4-fluorophenyl)methyl]ethanamine
CID 81384662
(2R)-2-[[cyclopropyl-(4-methylphenyl)methyl]amino]propan-1-ol
CID 114987207
N-[cyclopropyl-(4-methylphenyl)methyl]-4-fluoro-2-methylaniline
CID 43764890
N-[(4-chlorophenyl)-cyclopropylmethyl]-1-(1H-pyrazol-4-yl)ethanamine
CID 106209490
1-(4-fluorophenyl)-N-[1-(4-methylphenyl)ethyl]propan-1-amine
CID 60946165
1-cyclopropyl-N-[1-(4-fluorophenyl)ethyl]butan-1-amine
CID 113338838
N-[cyclopropyl(phenyl)methyl]-1-(3,4-difluorophenyl)ethanamine
CID 43724263

Frequently Asked Questions

What is the IUPAC name of N-[cyclopropyl-(4-fluorophenyl)methyl]-1-(4-methylphenyl)ethanamine?
The IUPAC name of N-[cyclopropyl-(4-fluorophenyl)methyl]-1-(4-methylphenyl)ethanamine (CID 60946052) is N-[cyclopropyl-(4-fluorophenyl)methyl]-1-(4-methylphenyl)ethanamine.
What is the SMILES notation for N-[cyclopropyl-(4-fluorophenyl)methyl]-1-(4-methylphenyl)ethanamine?
The canonical SMILES for N-[cyclopropyl-(4-fluorophenyl)methyl]-1-(4-methylphenyl)ethanamine is Cc1ccc(C(C)NC(c2ccc(F)cc2)C2CC2)cc1.
What is the InChIKey of N-[cyclopropyl-(4-fluorophenyl)methyl]-1-(4-methylphenyl)ethanamine?
The InChIKey is BAVJXXCQSVCZGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN/c1-13-3-5-15(6-4-13)14(2)21-19(16-7-8-16)17-9-11-18(20)12-10-17/h3-6,9-12,14,16,19,21H,7-8H2,1-2H3.
What are the key properties of N-[cyclopropyl-(4-fluorophenyl)methyl]-1-(4-methylphenyl)ethanamine?
N-[cyclopropyl-(4-fluorophenyl)methyl]-1-(4-methylphenyl)ethanamine has a molecular weight of 283.39 g/mol, XLogP of 4.94, 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]-1-(4-methylphenyl)ethanamine is sourced from PubChem (CID 60946052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).