N-[[2-chloro-4-(3-propylphenyl)phenyl]methyl]ethanamine

C18H22ClN — CID 116545338

IUPACN-[[2-chloro-4-(3-propylphenyl)phenyl]methyl]ethanamine
SMILESCCCc1cccc(-c2ccc(CNCC)c(Cl)c2)c1
InChIInChI=1S/C18H22ClN/c1-3-6-14-7-5-8-15(11-14)16-9-10-17(13-20-4-2)18(19)12-16/h5,7-12,20H,3-4,6,13H2,1-2H3
InChIKeyGOYUMFNUTKEXNO-UHFFFAOYSA-N
MW287.83 g/mol
LogP5.07
Rot. Bonds6

About N-[[2-chloro-4-(3-propylphenyl)phenyl]methyl]ethanamine

N-[[2-chloro-4-(3-propylphenyl)phenyl]methyl]ethanamine (PubChem CID 116545338) has the molecular formula C18H22ClN and a molecular weight of 287.83 g/mol. Its IUPAC name is N-[[2-chloro-4-(3-propylphenyl)phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-chloro-4-(3-propylphenyl)phenyl]methyl]ethanamine
PubChem CID116545338
Molecular FormulaC18H22ClN
Molecular Weight287.83 g/mol
Exact Mass287.14
IUPAC NameN-[[2-chloro-4-(3-propylphenyl)phenyl]methyl]ethanamine
SMILESCCCc1cccc(-c2ccc(CNCC)c(Cl)c2)c1
InChIInChI=1S/C18H22ClN/c1-3-6-14-7-5-8-15(11-14)16-9-10-17(13-20-4-2)18(19)12-16/h5,7-12,20H,3-4,6,13H2,1-2H3
InChIKeyGOYUMFNUTKEXNO-UHFFFAOYSA-N
XLogP5.07
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.83
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[4-(3-propylphenyl)phenyl]methyl]propan-1-amine
CID 116545296
N-[(3-propylphenyl)methyl]ethanamine
CID 59900553
1-[2-chloro-4-(3-propylphenyl)phenyl]ethanamine
CID 116545336
1-phenyl-3-propylbenzene
CID 4110465
N-[[4-(1-benzofuran-2-yl)-2-chlorophenyl]methyl]ethanamine
CID 114732182
N-[(3-phenylphenyl)methyl]ethanamine
CID 54178417
N-[[5-(3-propylphenyl)furan-2-yl]methyl]ethanamine
CID 106888028
N-[[4-chloro-2-[3-(2-methylpropyl)phenyl]phenyl]methyl]ethanamine
CID 116545418
[3-(3-propylphenyl)phenyl]methanamine
CID 1392934
[3-(4-propylphenyl)phenyl]methanol
CID 1393732
N-[[2-chloro-4-(2,4,6-trichlorophenyl)phenyl]methyl]propan-1-amine
CID 105350036
1-[5-chloro-2-(3-propylphenyl)phenyl]-N-methylmethanamine
CID 116545376

Frequently Asked Questions

What is the IUPAC name of N-[[2-chloro-4-(3-propylphenyl)phenyl]methyl]ethanamine?
The IUPAC name of N-[[2-chloro-4-(3-propylphenyl)phenyl]methyl]ethanamine (CID 116545338) is N-[[2-chloro-4-(3-propylphenyl)phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-chloro-4-(3-propylphenyl)phenyl]methyl]ethanamine?
The canonical SMILES for N-[[2-chloro-4-(3-propylphenyl)phenyl]methyl]ethanamine is CCCc1cccc(-c2ccc(CNCC)c(Cl)c2)c1.
What is the InChIKey of N-[[2-chloro-4-(3-propylphenyl)phenyl]methyl]ethanamine?
The InChIKey is GOYUMFNUTKEXNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN/c1-3-6-14-7-5-8-15(11-14)16-9-10-17(13-20-4-2)18(19)12-16/h5,7-12,20H,3-4,6,13H2,1-2H3.
What are the key properties of N-[[2-chloro-4-(3-propylphenyl)phenyl]methyl]ethanamine?
N-[[2-chloro-4-(3-propylphenyl)phenyl]methyl]ethanamine has a molecular weight of 287.83 g/mol, XLogP of 5.07, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-chloro-4-(3-propylphenyl)phenyl]methyl]ethanamine is sourced from PubChem (CID 116545338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).