N,N-bis(2-chloroethyl)naphthalen-2-amine

C14H15Cl2N — CID 10307

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IUPACN,N-bis(2-chloroethyl)naphthalen-2-amine
SMILESClCCN(CCCl)c1ccc2ccccc2c1
InChIInChI=1S/C14H15Cl2N/c15-7-9-17(10-8-16)14-6-5-12-3-1-2-4-13(12)11-14/h1-6,11H,7-10H2
InChIKeyXCDXSSFOJZZGQC-UHFFFAOYSA-N
MW268.19 g/mol
LogP4.12
Rot. Bonds5

About N,N-bis(2-chloroethyl)naphthalen-2-amine

N,N-bis(2-chloroethyl)naphthalen-2-amine (PubChem CID 10307) has the molecular formula C14H15Cl2N and a molecular weight of 268.19 g/mol. Its IUPAC name is N,N-bis(2-chloroethyl)naphthalen-2-amine.

Molecular Properties

Compound NameN,N-bis(2-chloroethyl)naphthalen-2-amine
PubChem CID10307
Molecular FormulaC14H15Cl2N
Molecular Weight268.19 g/mol
Exact Mass267.06
IUPAC NameN,N-bis(2-chloroethyl)naphthalen-2-amine
SMILESClCCN(CCCl)c1ccc2ccccc2c1
InChIInChI=1S/C14H15Cl2N/c15-7-9-17(10-8-16)14-6-5-12-3-1-2-4-13(12)11-14/h1-6,11H,7-10H2
InChIKeyXCDXSSFOJZZGQC-UHFFFAOYSA-N
XLogP4.12
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.19
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N,N-dimethyl-1-naphthylamine
CID 6848
Benzenamine, N,N-bis(2-chloroethyl)-3-methyl-
CID 95113
p-Toluidine, N,N-bis(2-chloroethyl)-
CID 100400
1-Methyl-4-naphthalen-2-ylpiperazine
CID 3044599
N,N-Diethyl-alpha-naphthylamine
CID 66547
2-Naphthalenamine, N-methyl-
CID 137505
Ethyl(2-naphthyl)amine
CID 75530
1-(Naphthalen-2-yl)piperidine
CID 230709
WB 4291
CID 97406
2-Naphthalenamine, N,N-bis(2-bromoethyl)-
CID 99654
4-tert-Butyl-N,N-bis(2-chloroethyl)aniline
CID 318983
N,N-Dimethyl-2-naphthalenamine
CID 75527

Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-chloroethyl)naphthalen-2-amine?
The IUPAC name of N,N-bis(2-chloroethyl)naphthalen-2-amine (CID 10307) is N,N-bis(2-chloroethyl)naphthalen-2-amine.
What is the SMILES notation for N,N-bis(2-chloroethyl)naphthalen-2-amine?
The canonical SMILES for N,N-bis(2-chloroethyl)naphthalen-2-amine is ClCCN(CCCl)c1ccc2ccccc2c1.
What is the InChIKey of N,N-bis(2-chloroethyl)naphthalen-2-amine?
The InChIKey is XCDXSSFOJZZGQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2N/c15-7-9-17(10-8-16)14-6-5-12-3-1-2-4-13(12)11-14/h1-6,11H,7-10H2.
What are the key properties of N,N-bis(2-chloroethyl)naphthalen-2-amine?
N,N-bis(2-chloroethyl)naphthalen-2-amine has a molecular weight of 268.19 g/mol, XLogP of 4.12, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-chloroethyl)naphthalen-2-amine is sourced from PubChem (CID 10307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).