N-[(3-fluoro-4-methylphenyl)-(1-phenylcyclopropyl)methyl]ethanamine

C19H22FN — CID 107128711

IUPACN-[(3-fluoro-4-methylphenyl)-(1-phenylcyclopropyl)methyl]ethanamine
SMILESCCNC(c1ccc(C)c(F)c1)C1(c2ccccc2)CC1
InChIInChI=1S/C19H22FN/c1-3-21-18(15-10-9-14(2)17(20)13-15)19(11-12-19)16-7-5-4-6-8-16/h4-10,13,18,21H,3,11-12H2,1-2H3
InChIKeyRFZQTLACQANGRT-UHFFFAOYSA-N
MW283.39 g/mol
LogP4.52
Rot. Bonds5

About N-[(3-fluoro-4-methylphenyl)-(1-phenylcyclopropyl)methyl]ethanamine

N-[(3-fluoro-4-methylphenyl)-(1-phenylcyclopropyl)methyl]ethanamine (PubChem CID 107128711) has the molecular formula C19H22FN and a molecular weight of 283.39 g/mol. Its IUPAC name is N-[(3-fluoro-4-methylphenyl)-(1-phenylcyclopropyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3-fluoro-4-methylphenyl)-(1-phenylcyclopropyl)methyl]ethanamine
PubChem CID107128711
Molecular FormulaC19H22FN
Molecular Weight283.39 g/mol
Exact Mass283.17
IUPAC NameN-[(3-fluoro-4-methylphenyl)-(1-phenylcyclopropyl)methyl]ethanamine
SMILESCCNC(c1ccc(C)c(F)c1)C1(c2ccccc2)CC1
InChIInChI=1S/C19H22FN/c1-3-21-18(15-10-9-14(2)17(20)13-15)19(11-12-19)16-7-5-4-6-8-16/h4-10,13,18,21H,3,11-12H2,1-2H3
InChIKeyRFZQTLACQANGRT-UHFFFAOYSA-N
XLogP4.52
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 ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(5-methyl-3-pyridinyl)-(1-phenylcyclopropyl)methyl]ethanamine
CID 115374513
N-[(2,4-dimethylphenyl)-(1-phenylcyclopropyl)methyl]ethanamine
CID 63417836
N-[(5-bromo-4-methylthiophen-2-yl)-(1-phenylcyclopropyl)methyl]ethanamine
CID 79991864
(3-fluoro-4-methylphenyl)-(1-phenylcyclobutyl)methanamine
CID 107128712
1-(2,6-difluoro-3-methylphenyl)-N-methyl-1-(1-phenylcyclopropyl)methanamine
CID 82803625
N-[(5-methylthiophen-2-yl)-(1-phenylcyclopropyl)methyl]ethanamine
CID 55128692
N-ethyl-2-(2-fluorophenyl)-1-(1-phenylcyclopropyl)ethanamine
CID 62879879
N-[(3-bromo-2-fluorophenyl)-(1-phenylcyclopropyl)methyl]ethanamine
CID 106645549
N-[(3-fluoro-4-methylphenyl)-(2-methylfuran-3-yl)methyl]ethanamine
CID 107129150
1-(3-bromo-4-fluorophenyl)-N-methyl-1-(1-phenylcyclopropyl)methanamine
CID 79747261
N-[(2,4-difluorophenyl)-(3-fluoro-4-methylphenyl)methyl]ethanamine
CID 43491057
[(3,4-dimethylphenyl)-(1-phenylcyclobutyl)methyl]hydrazine
CID 105217373

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-4-methylphenyl)-(1-phenylcyclopropyl)methyl]ethanamine?
The IUPAC name of N-[(3-fluoro-4-methylphenyl)-(1-phenylcyclopropyl)methyl]ethanamine (CID 107128711) is N-[(3-fluoro-4-methylphenyl)-(1-phenylcyclopropyl)methyl]ethanamine.
What is the SMILES notation for N-[(3-fluoro-4-methylphenyl)-(1-phenylcyclopropyl)methyl]ethanamine?
The canonical SMILES for N-[(3-fluoro-4-methylphenyl)-(1-phenylcyclopropyl)methyl]ethanamine is CCNC(c1ccc(C)c(F)c1)C1(c2ccccc2)CC1.
What is the InChIKey of N-[(3-fluoro-4-methylphenyl)-(1-phenylcyclopropyl)methyl]ethanamine?
The InChIKey is RFZQTLACQANGRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN/c1-3-21-18(15-10-9-14(2)17(20)13-15)19(11-12-19)16-7-5-4-6-8-16/h4-10,13,18,21H,3,11-12H2,1-2H3.
What are the key properties of N-[(3-fluoro-4-methylphenyl)-(1-phenylcyclopropyl)methyl]ethanamine?
N-[(3-fluoro-4-methylphenyl)-(1-phenylcyclopropyl)methyl]ethanamine has a molecular weight of 283.39 g/mol, XLogP of 4.52, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluoro-4-methylphenyl)-(1-phenylcyclopropyl)methyl]ethanamine is sourced from PubChem (CID 107128711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).