N-[1-(2,5-dichlorophenyl)ethyl]naphthalen-2-amine

C18H15Cl2N — CID 43680270

IUPACN-[1-(2,5-dichlorophenyl)ethyl]naphthalen-2-amine
SMILESCC(Nc1ccc2ccccc2c1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C18H15Cl2N/c1-12(17-11-15(19)7-9-18(17)20)21-16-8-6-13-4-2-3-5-14(13)10-16/h2-12,21H,1H3
InChIKeyYQQYENBHYJRLGW-UHFFFAOYSA-N
MW316.23 g/mol
LogP6.32
Rot. Bonds3

About N-[1-(2,5-dichlorophenyl)ethyl]naphthalen-2-amine

N-[1-(2,5-dichlorophenyl)ethyl]naphthalen-2-amine (PubChem CID 43680270) has the molecular formula C18H15Cl2N and a molecular weight of 316.23 g/mol. Its IUPAC name is N-[1-(2,5-dichlorophenyl)ethyl]naphthalen-2-amine.

Molecular Properties

Compound NameN-[1-(2,5-dichlorophenyl)ethyl]naphthalen-2-amine
PubChem CID43680270
Molecular FormulaC18H15Cl2N
Molecular Weight316.23 g/mol
Exact Mass315.06
IUPAC NameN-[1-(2,5-dichlorophenyl)ethyl]naphthalen-2-amine
SMILESCC(Nc1ccc2ccccc2c1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C18H15Cl2N/c1-12(17-11-15(19)7-9-18(17)20)21-16-8-6-13-4-2-3-5-14(13)10-16/h2-12,21H,1H3
InChIKeyYQQYENBHYJRLGW-UHFFFAOYSA-N
XLogP6.32
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.23
LogP ≤ 56.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(2-chloro-4-fluorophenyl)ethyl]naphthalen-2-amine
CID 43780295
N-[1-(2,5-dichlorophenyl)ethyl]-3-propan-2-ylaniline
CID 43098941
3-chloro-N-[1-(2,5-dichlorophenyl)ethyl]-4-methylaniline
CID 43106779
3-[1-(2,5-dichlorophenyl)ethylamino]phenol
CID 43100532
2-chloro-4-N-[1-(2,5-dichlorophenyl)ethyl]-1-N,1-N-dimethylbenzene-1,4-diamine
CID 63450910
4-bromo-N-[1-(2,5-dichlorophenyl)ethyl]-3-methylaniline
CID 43110743
N-[4-[1-(2,5-dichlorophenyl)ethylamino]phenyl]acetamide
CID 43111675
3-chloro-N-(1-naphthalen-2-ylethyl)aniline
CID 43098367
N-[1-(4-bromo-2-fluorophenyl)ethyl]naphthalen-2-amine
CID 82964453
N-[1-(2,5-dichlorophenyl)ethyl]-2-(trifluoromethyl)aniline
CID 43103861
N-[1-(2,4-dichlorophenyl)ethyl]-4-propan-2-ylaniline
CID 43102770
3-chloro-N-[1-(2,5-dichlorophenyl)ethyl]-2-methylaniline
CID 43095344

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dichlorophenyl)ethyl]naphthalen-2-amine?
The IUPAC name of N-[1-(2,5-dichlorophenyl)ethyl]naphthalen-2-amine (CID 43680270) is N-[1-(2,5-dichlorophenyl)ethyl]naphthalen-2-amine.
What is the SMILES notation for N-[1-(2,5-dichlorophenyl)ethyl]naphthalen-2-amine?
The canonical SMILES for N-[1-(2,5-dichlorophenyl)ethyl]naphthalen-2-amine is CC(Nc1ccc2ccccc2c1)c1cc(Cl)ccc1Cl.
What is the InChIKey of N-[1-(2,5-dichlorophenyl)ethyl]naphthalen-2-amine?
The InChIKey is YQQYENBHYJRLGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Cl2N/c1-12(17-11-15(19)7-9-18(17)20)21-16-8-6-13-4-2-3-5-14(13)10-16/h2-12,21H,1H3.
What are the key properties of N-[1-(2,5-dichlorophenyl)ethyl]naphthalen-2-amine?
N-[1-(2,5-dichlorophenyl)ethyl]naphthalen-2-amine has a molecular weight of 316.23 g/mol, XLogP of 6.32, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dichlorophenyl)ethyl]naphthalen-2-amine is sourced from PubChem (CID 43680270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).