2-[(4-bromophenyl)methyl]-N-ethyl-3-(4-fluorophenyl)propan-1-amine

C18H21BrFN — CID 63522958

IUPAC2-[(4-bromophenyl)methyl]-N-ethyl-3-(4-fluorophenyl)propan-1-amine
SMILESCCNCC(Cc1ccc(F)cc1)Cc1ccc(Br)cc1
InChIInChI=1S/C18H21BrFN/c1-2-21-13-16(11-14-3-7-17(19)8-4-14)12-15-5-9-18(20)10-6-15/h3-10,16,21H,2,11-13H2,1H3
InChIKeySPNFEUMPKWJZTK-UHFFFAOYSA-N
MW350.28 g/mol
LogP4.60
Rot. Bonds7

About 2-[(4-bromophenyl)methyl]-N-ethyl-3-(4-fluorophenyl)propan-1-amine

2-[(4-bromophenyl)methyl]-N-ethyl-3-(4-fluorophenyl)propan-1-amine (PubChem CID 63522958) has the molecular formula C18H21BrFN and a molecular weight of 350.28 g/mol. Its IUPAC name is 2-[(4-bromophenyl)methyl]-N-ethyl-3-(4-fluorophenyl)propan-1-amine.

Molecular Properties

Compound Name2-[(4-bromophenyl)methyl]-N-ethyl-3-(4-fluorophenyl)propan-1-amine
PubChem CID63522958
Molecular FormulaC18H21BrFN
Molecular Weight350.28 g/mol
Exact Mass349.08
IUPAC Name2-[(4-bromophenyl)methyl]-N-ethyl-3-(4-fluorophenyl)propan-1-amine
SMILESCCNCC(Cc1ccc(F)cc1)Cc1ccc(Br)cc1
InChIInChI=1S/C18H21BrFN/c1-2-21-13-16(11-14-3-7-17(19)8-4-14)12-15-5-9-18(20)10-6-15/h3-10,16,21H,2,11-13H2,1H3
InChIKeySPNFEUMPKWJZTK-UHFFFAOYSA-N
XLogP4.60
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.28
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(5-bromothiophen-2-yl)methyl]-N-ethyl-3-(4-fluorophenyl)propan-1-amine
CID 62516078
2-[(4-bromophenyl)methyl]-N-ethyl-3-trimethylsilylpropan-1-amine
CID 114173520
2-[(4-bromophenyl)methyl]-N-ethyl-3-thiophen-3-ylpropan-1-amine
CID 62516264
2-[(4-bromophenyl)methyl]-N-ethyl-4-methylhexan-1-amine
CID 63522612
N-ethyl-2-[(4-fluorophenyl)methyl]-3-(3-methylphenyl)propan-1-amine
CID 62516253
2-[(4-bromophenyl)methyl]-N-ethyl-3-(3-methylphenyl)propan-1-amine
CID 63523508
N-ethyl-2-[(4-fluorophenyl)methyl]-4-methylsulfanylbutan-1-amine
CID 113474166
N-ethyl-2-[(4-fluorophenyl)methyl]-4-methoxybutan-1-amine
CID 62516080
N-ethyl-2-[(4-fluorophenyl)methyl]-6-methylheptan-1-amine
CID 83169392
2-[(3-chlorophenyl)methyl]-N-ethyl-3-(4-fluorophenyl)propan-1-amine
CID 63523316
2-[(4-bromophenyl)methyl]-N-ethyl-3-(2-methyltetrazol-5-yl)propan-1-amine
CID 107052967
3-(3-bromophenyl)-2-[(3-bromophenyl)methyl]-N-ethylpropan-1-amine
CID 63523539

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)methyl]-N-ethyl-3-(4-fluorophenyl)propan-1-amine?
The IUPAC name of 2-[(4-bromophenyl)methyl]-N-ethyl-3-(4-fluorophenyl)propan-1-amine (CID 63522958) is 2-[(4-bromophenyl)methyl]-N-ethyl-3-(4-fluorophenyl)propan-1-amine.
What is the SMILES notation for 2-[(4-bromophenyl)methyl]-N-ethyl-3-(4-fluorophenyl)propan-1-amine?
The canonical SMILES for 2-[(4-bromophenyl)methyl]-N-ethyl-3-(4-fluorophenyl)propan-1-amine is CCNCC(Cc1ccc(F)cc1)Cc1ccc(Br)cc1.
What is the InChIKey of 2-[(4-bromophenyl)methyl]-N-ethyl-3-(4-fluorophenyl)propan-1-amine?
The InChIKey is SPNFEUMPKWJZTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrFN/c1-2-21-13-16(11-14-3-7-17(19)8-4-14)12-15-5-9-18(20)10-6-15/h3-10,16,21H,2,11-13H2,1H3.
What are the key properties of 2-[(4-bromophenyl)methyl]-N-ethyl-3-(4-fluorophenyl)propan-1-amine?
2-[(4-bromophenyl)methyl]-N-ethyl-3-(4-fluorophenyl)propan-1-amine has a molecular weight of 350.28 g/mol, XLogP of 4.60, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenyl)methyl]-N-ethyl-3-(4-fluorophenyl)propan-1-amine is sourced from PubChem (CID 63522958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).