2,4-dichloro-N-(2-naphthalen-1-ylethyl)aniline

C18H15Cl2N — CID 54795871

IUPAC2,4-dichloro-N-(2-naphthalen-1-ylethyl)aniline
SMILESClc1ccc(NCCc2cccc3ccccc23)c(Cl)c1
InChIInChI=1S/C18H15Cl2N/c19-15-8-9-18(17(20)12-15)21-11-10-14-6-3-5-13-4-1-2-7-16(13)14/h1-9,12,21H,10-11H2
InChIKeyDOAVMEYFTBXWJC-UHFFFAOYSA-N
MW316.23 g/mol
LogP5.80
Rot. Bonds4

About 2,4-dichloro-N-(2-naphthalen-1-ylethyl)aniline

2,4-dichloro-N-(2-naphthalen-1-ylethyl)aniline (PubChem CID 54795871) has the molecular formula C18H15Cl2N and a molecular weight of 316.23 g/mol. Its IUPAC name is 2,4-dichloro-N-(2-naphthalen-1-ylethyl)aniline.

Molecular Properties

Compound Name2,4-dichloro-N-(2-naphthalen-1-ylethyl)aniline
PubChem CID54795871
Molecular FormulaC18H15Cl2N
Molecular Weight316.23 g/mol
Exact Mass315.06
IUPAC Name2,4-dichloro-N-(2-naphthalen-1-ylethyl)aniline
SMILESClc1ccc(NCCc2cccc3ccccc23)c(Cl)c1
InChIInChI=1S/C18H15Cl2N/c19-15-8-9-18(17(20)12-15)21-11-10-14-6-3-5-13-4-1-2-7-16(13)14/h1-9,12,21H,10-11H2
InChIKeyDOAVMEYFTBXWJC-UHFFFAOYSA-N
XLogP5.80
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.23
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N'-(2,4-dichlorophenyl)-N-phenylethane-1,2-diamine
CID 54806465
4-chloro-1-N-(naphthalen-1-ylmethyl)benzene-1,2-diamine
CID 62369100
2-chloro-1-N-[2-(2-fluorophenyl)ethyl]benzene-1,4-diamine
CID 28903455
N-(2,3-dichlorophenyl)-N'-(2,4-dichlorophenyl)ethane-1,2-diamine
CID 54806246
N-[2-(4-chlorophenyl)ethyl]naphthalen-1-amine
CID 54795955
2,4-dichloro-N-(2-thiophen-2-ylethyl)aniline
CID 63773799
3-chloro-4-[2-(2,4-dichlorophenyl)ethylamino]benzonitrile
CID 63511428
1-[2-(2-chlorophenyl)ethyl]naphthalene
CID 20686215
N-benzyl-2-(7-chloronaphthalen-1-yl)ethanamine
CID 170604513
2-chloro-1-N-[2-(2-methoxyphenyl)ethyl]benzene-1,4-diamine
CID 106259764
2,4-dichloro-N-[(2,4-dichlorophenyl)methyl]aniline
CID 13339999
5-N-(2,4-dichlorophenyl)-3-N-[2-(2-fluorophenyl)ethyl]-1,2,4-triazine-3,5-diamine
CID 112953615

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-(2-naphthalen-1-ylethyl)aniline?
The IUPAC name of 2,4-dichloro-N-(2-naphthalen-1-ylethyl)aniline (CID 54795871) is 2,4-dichloro-N-(2-naphthalen-1-ylethyl)aniline.
What is the SMILES notation for 2,4-dichloro-N-(2-naphthalen-1-ylethyl)aniline?
The canonical SMILES for 2,4-dichloro-N-(2-naphthalen-1-ylethyl)aniline is Clc1ccc(NCCc2cccc3ccccc23)c(Cl)c1.
What is the InChIKey of 2,4-dichloro-N-(2-naphthalen-1-ylethyl)aniline?
The InChIKey is DOAVMEYFTBXWJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Cl2N/c19-15-8-9-18(17(20)12-15)21-11-10-14-6-3-5-13-4-1-2-7-16(13)14/h1-9,12,21H,10-11H2.
What are the key properties of 2,4-dichloro-N-(2-naphthalen-1-ylethyl)aniline?
2,4-dichloro-N-(2-naphthalen-1-ylethyl)aniline has a molecular weight of 316.23 g/mol, XLogP of 5.80, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-(2-naphthalen-1-ylethyl)aniline is sourced from PubChem (CID 54795871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).