N,N-bis(2-chloroethyl)-4-[2-(dimethylamino)ethyl]aniline;dihydrochloride

C14H24Cl4N2 — CID 24841285

IUPACN,N-bis(2-chloroethyl)-4-[2-(dimethylamino)ethyl]aniline;dihydrochloride
SMILESCN(C)CCc1ccc(N(CCCl)CCCl)cc1.Cl.Cl
InChIInChI=1S/C14H22Cl2N2.2ClH/c1-17(2)10-7-13-3-5-14(6-4-13)18(11-8-15)12-9-16;;/h3-6H,7-12H2,1-2H3;2*1H
InChIKeyJMGNBZQOJMKPQS-UHFFFAOYSA-N
MW362.17 g/mol
LogP3.92
Rot. Bonds8

About N,N-bis(2-chloroethyl)-4-[2-(dimethylamino)ethyl]aniline;dihydrochloride

N,N-bis(2-chloroethyl)-4-[2-(dimethylamino)ethyl]aniline;dihydrochloride (PubChem CID 24841285) has the molecular formula C14H24Cl4N2 and a molecular weight of 362.17 g/mol. Its IUPAC name is N,N-bis(2-chloroethyl)-4-[2-(dimethylamino)ethyl]aniline;dihydrochloride.

Molecular Properties

Compound NameN,N-bis(2-chloroethyl)-4-[2-(dimethylamino)ethyl]aniline;dihydrochloride
PubChem CID24841285
Molecular FormulaC14H24Cl4N2
Molecular Weight362.17 g/mol
Exact Mass360.07
IUPAC NameN,N-bis(2-chloroethyl)-4-[2-(dimethylamino)ethyl]aniline;dihydrochloride
SMILESCN(C)CCc1ccc(N(CCCl)CCCl)cc1.Cl.Cl
InChIInChI=1S/C14H22Cl2N2.2ClH/c1-17(2)10-7-13-3-5-14(6-4-13)18(11-8-15)12-9-16;;/h3-6H,7-12H2,1-2H3;2*1H
InChIKeyJMGNBZQOJMKPQS-UHFFFAOYSA-N
XLogP3.92
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.17
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

CID 7471
CID 7471
CID 7567
CID 7567
CID 10307
CID 10307
CID 11108
CID 11108
CID 66679
CID 66679
CID 7093
CID 7093
CID 81995
CID 81995
CID 67288
CID 67288
CID 69075
CID 69075
CID 69177
CID 69177
CID 95113
CID 95113
CID 100400
CID 100400

Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-chloroethyl)-4-[2-(dimethylamino)ethyl]aniline;dihydrochloride?
The IUPAC name of N,N-bis(2-chloroethyl)-4-[2-(dimethylamino)ethyl]aniline;dihydrochloride (CID 24841285) is N,N-bis(2-chloroethyl)-4-[2-(dimethylamino)ethyl]aniline;dihydrochloride.
What is the SMILES notation for N,N-bis(2-chloroethyl)-4-[2-(dimethylamino)ethyl]aniline;dihydrochloride?
The canonical SMILES for N,N-bis(2-chloroethyl)-4-[2-(dimethylamino)ethyl]aniline;dihydrochloride is CN(C)CCc1ccc(N(CCCl)CCCl)cc1.Cl.Cl.
What is the InChIKey of N,N-bis(2-chloroethyl)-4-[2-(dimethylamino)ethyl]aniline;dihydrochloride?
The InChIKey is JMGNBZQOJMKPQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22Cl2N2.2ClH/c1-17(2)10-7-13-3-5-14(6-4-13)18(11-8-15)12-9-16;;/h3-6H,7-12H2,1-2H3;2*1H.
What are the key properties of N,N-bis(2-chloroethyl)-4-[2-(dimethylamino)ethyl]aniline;dihydrochloride?
N,N-bis(2-chloroethyl)-4-[2-(dimethylamino)ethyl]aniline;dihydrochloride has a molecular weight of 362.17 g/mol, XLogP of 3.92, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-chloroethyl)-4-[2-(dimethylamino)ethyl]aniline;dihydrochloride is sourced from PubChem (CID 24841285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).