N-[(3-fluorophenyl)-[3-(2-methylpropyl)phenyl]methyl]ethanamine

C19H24FN — CID 116543854

IUPACN-[(3-fluorophenyl)-[3-(2-methylpropyl)phenyl]methyl]ethanamine
SMILESCCNC(c1cccc(F)c1)c1cccc(CC(C)C)c1
InChIInChI=1S/C19H24FN/c1-4-21-19(17-9-6-10-18(20)13-17)16-8-5-7-15(12-16)11-14(2)3/h5-10,12-14,19,21H,4,11H2,1-3H3
InChIKeyKHXOXGICPCNQRV-UHFFFAOYSA-N
MW285.41 g/mol
LogP4.72
Rot. Bonds6

About N-[(3-fluorophenyl)-[3-(2-methylpropyl)phenyl]methyl]ethanamine

N-[(3-fluorophenyl)-[3-(2-methylpropyl)phenyl]methyl]ethanamine (PubChem CID 116543854) has the molecular formula C19H24FN and a molecular weight of 285.41 g/mol. Its IUPAC name is N-[(3-fluorophenyl)-[3-(2-methylpropyl)phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[(3-fluorophenyl)-[3-(2-methylpropyl)phenyl]methyl]ethanamine
PubChem CID116543854
Molecular FormulaC19H24FN
Molecular Weight285.41 g/mol
Exact Mass285.19
IUPAC NameN-[(3-fluorophenyl)-[3-(2-methylpropyl)phenyl]methyl]ethanamine
SMILESCCNC(c1cccc(F)c1)c1cccc(CC(C)C)c1
InChIInChI=1S/C19H24FN/c1-4-21-19(17-9-6-10-18(20)13-17)16-8-5-7-15(12-16)11-14(2)3/h5-10,12-14,19,21H,4,11H2,1-3H3
InChIKeyKHXOXGICPCNQRV-UHFFFAOYSA-N
XLogP4.72
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2-fluorophenyl)-[3-(2-methylpropyl)phenyl]methyl]ethanamine
CID 116544290
N-[[3-(2-methylpropyl)phenyl]-pyridazin-4-ylmethyl]ethanamine
CID 105188044
N-[(3-fluoro-2-pyridinyl)-[3-(2-methylpropyl)phenyl]methyl]ethanamine
CID 116544944
N-[furan-2-yl-[3-(2-methylpropyl)phenyl]methyl]ethanamine
CID 116544236
N-[(2-bromophenyl)-[3-(2-methylpropyl)phenyl]methyl]ethanamine
CID 116544140
N-[(4-bromophenyl)-(3-fluorophenyl)methyl]ethanamine
CID 43488690
ethane;1-fluoro-3-(2-methylpropyl)benzene
CID 142079473
N-[(3,4-dichlorophenyl)-(3-fluorophenyl)methyl]ethanamine
CID 43492851
N-[(3-bromo-5-fluorophenyl)-(3-fluorophenyl)methyl]ethanamine
CID 66423459
N-[(2,5-dimethylfuran-3-yl)-[3-(2-methylpropyl)phenyl]methyl]ethanamine
CID 105050768
N-[(2,5-difluorophenyl)-(3-fluorophenyl)methyl]ethanamine
CID 43490212
N-[(3-bromophenyl)-[4-(2-methylpropyl)phenyl]methyl]ethanamine
CID 43488257

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)-[3-(2-methylpropyl)phenyl]methyl]ethanamine?
The IUPAC name of N-[(3-fluorophenyl)-[3-(2-methylpropyl)phenyl]methyl]ethanamine (CID 116543854) is N-[(3-fluorophenyl)-[3-(2-methylpropyl)phenyl]methyl]ethanamine.
What is the SMILES notation for N-[(3-fluorophenyl)-[3-(2-methylpropyl)phenyl]methyl]ethanamine?
The canonical SMILES for N-[(3-fluorophenyl)-[3-(2-methylpropyl)phenyl]methyl]ethanamine is CCNC(c1cccc(F)c1)c1cccc(CC(C)C)c1.
What is the InChIKey of N-[(3-fluorophenyl)-[3-(2-methylpropyl)phenyl]methyl]ethanamine?
The InChIKey is KHXOXGICPCNQRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN/c1-4-21-19(17-9-6-10-18(20)13-17)16-8-5-7-15(12-16)11-14(2)3/h5-10,12-14,19,21H,4,11H2,1-3H3.
What are the key properties of N-[(3-fluorophenyl)-[3-(2-methylpropyl)phenyl]methyl]ethanamine?
N-[(3-fluorophenyl)-[3-(2-methylpropyl)phenyl]methyl]ethanamine has a molecular weight of 285.41 g/mol, XLogP of 4.72, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)-[3-(2-methylpropyl)phenyl]methyl]ethanamine is sourced from PubChem (CID 116543854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).