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

C19H24ClN — CID 115482556

IUPACN-[[4-chloro-2-(3,4-diethylphenyl)phenyl]methyl]ethanamine
SMILESCCNCc1ccc(Cl)cc1-c1ccc(CC)c(CC)c1
InChIInChI=1S/C19H24ClN/c1-4-14-7-8-16(11-15(14)5-2)19-12-18(20)10-9-17(19)13-21-6-3/h7-12,21H,4-6,13H2,1-3H3
InChIKeyDECNUVRZBWTSSN-UHFFFAOYSA-N
MW301.86 g/mol
LogP5.24
Rot. Bonds6

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

N-[[4-chloro-2-(3,4-diethylphenyl)phenyl]methyl]ethanamine (PubChem CID 115482556) has the molecular formula C19H24ClN and a molecular weight of 301.86 g/mol. Its IUPAC name is N-[[4-chloro-2-(3,4-diethylphenyl)phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-chloro-2-(3,4-diethylphenyl)phenyl]methyl]ethanamine
PubChem CID115482556
Molecular FormulaC19H24ClN
Molecular Weight301.86 g/mol
Exact Mass301.16
IUPAC NameN-[[4-chloro-2-(3,4-diethylphenyl)phenyl]methyl]ethanamine
SMILESCCNCc1ccc(Cl)cc1-c1ccc(CC)c(CC)c1
InChIInChI=1S/C19H24ClN/c1-4-14-7-8-16(11-15(14)5-2)19-12-18(20)10-9-17(19)13-21-6-3/h7-12,21H,4-6,13H2,1-3H3
InChIKeyDECNUVRZBWTSSN-UHFFFAOYSA-N
XLogP5.24
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.86
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[5-(2,4-dichlorophenyl)-2-fluorophenyl]methyl]ethanamine
CID 63428426
N-[[4-chloro-2-[3-(2-methylpropyl)phenyl]phenyl]methyl]ethanamine
CID 116545418
N-[[4-chloro-2-(2-chloro-4,5-dimethylphenyl)phenyl]methyl]ethanamine
CID 115484378
N-[[4-chloro-2-(3-chloro-4-methylphenyl)phenyl]methyl]propan-1-amine
CID 115504137
N-[[4-(5-chloro-2-methoxyphenyl)-2-fluorophenyl]methyl]ethanamine
CID 61034237
N-[[2-(4-chlorophenyl)phenyl]methyl]ethanamine
CID 54911635
N-[[5-(2,4-dichlorophenyl)-2-methoxyphenyl]methyl]ethanamine
CID 63428117
N-[(2-bromo-4-chlorophenyl)methyl]ethanamine
CID 81497013
N-[[2-fluoro-5-(2-fluoro-5-methylphenyl)phenyl]methyl]ethanamine
CID 54911835
3-(5-chloro-2-ethylphenyl)phenol
CID 142314632
4-chloro-1-ethyl-2-phenylbenzene
CID 90346891
N-[[5-(2,4-difluorophenyl)-2-fluorophenyl]methyl]ethanamine
CID 61032625

Frequently Asked Questions

What is the IUPAC name of N-[[4-chloro-2-(3,4-diethylphenyl)phenyl]methyl]ethanamine?
The IUPAC name of N-[[4-chloro-2-(3,4-diethylphenyl)phenyl]methyl]ethanamine (CID 115482556) is N-[[4-chloro-2-(3,4-diethylphenyl)phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[4-chloro-2-(3,4-diethylphenyl)phenyl]methyl]ethanamine?
The canonical SMILES for N-[[4-chloro-2-(3,4-diethylphenyl)phenyl]methyl]ethanamine is CCNCc1ccc(Cl)cc1-c1ccc(CC)c(CC)c1.
What is the InChIKey of N-[[4-chloro-2-(3,4-diethylphenyl)phenyl]methyl]ethanamine?
The InChIKey is DECNUVRZBWTSSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN/c1-4-14-7-8-16(11-15(14)5-2)19-12-18(20)10-9-17(19)13-21-6-3/h7-12,21H,4-6,13H2,1-3H3.
What are the key properties of N-[[4-chloro-2-(3,4-diethylphenyl)phenyl]methyl]ethanamine?
N-[[4-chloro-2-(3,4-diethylphenyl)phenyl]methyl]ethanamine has a molecular weight of 301.86 g/mol, XLogP of 5.24, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-chloro-2-(3,4-diethylphenyl)phenyl]methyl]ethanamine is sourced from PubChem (CID 115482556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).