N'-[2-(2-aminoethyl)-5-chlorophenyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine

C15H26ClN3 — CID 102998248

IUPACN'-[2-(2-aminoethyl)-5-chlorophenyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
SMILESCCN(CCCN(C)C)c1cc(Cl)ccc1CCN
InChIInChI=1S/C15H26ClN3/c1-4-19(11-5-10-18(2)3)15-12-14(16)7-6-13(15)8-9-17/h6-7,12H,4-5,8-11,17H2,1-3H3
InChIKeyAKZTUTZZSDUAPL-UHFFFAOYSA-N
MW283.85 g/mol
LogP2.62
Rot. Bonds8

About N'-[2-(2-aminoethyl)-5-chlorophenyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine

N'-[2-(2-aminoethyl)-5-chlorophenyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine (PubChem CID 102998248) has the molecular formula C15H26ClN3 and a molecular weight of 283.85 g/mol. Its IUPAC name is N'-[2-(2-aminoethyl)-5-chlorophenyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[2-(2-aminoethyl)-5-chlorophenyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
PubChem CID102998248
Molecular FormulaC15H26ClN3
Molecular Weight283.85 g/mol
Exact Mass283.18
IUPAC NameN'-[2-(2-aminoethyl)-5-chlorophenyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
SMILESCCN(CCCN(C)C)c1cc(Cl)ccc1CCN
InChIInChI=1S/C15H26ClN3/c1-4-19(11-5-10-18(2)3)15-12-14(16)7-6-13(15)8-9-17/h6-7,12H,4-5,8-11,17H2,1-3H3
InChIKeyAKZTUTZZSDUAPL-UHFFFAOYSA-N
XLogP2.62
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.85
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-2-N-[3-(dimethylamino)propyl]-2-N-ethylbenzene-1,2-diamine
CID 102991096
4-chloro-2-[3-(dimethylamino)propyl-ethylamino]benzaldehyde
CID 102994578
2-(2-aminoethyl)-5-bromo-N-butyl-N-ethylaniline
CID 63782694
N'-[4-chloro-2-(propylaminomethyl)phenyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 102995199
2-N-butyl-4-chloro-2-N-ethylbenzene-1,2-diamine
CID 115468453
N'-(5-chloro-2-methoxyphenyl)-N'-ethylethane-1,2-diamine
CID 28772873
3-(2,4-dichlorophenyl)-N,N-dimethylpropan-1-amine
CID 69275794
2-(2-aminoethyl)-N-ethyl-N-propylaniline
CID 63782884
2-(2-aminoethyl)-4-chloro-N-ethyl-N-(2,2,2-trifluoroethyl)aniline
CID 114861049
2-(4-chloro-2-methylphenyl)ethanamine;hydrochloride
CID 71089492
2-(2-aminoethyl)-4-chloro-N-methyl-N-propan-2-ylaniline
CID 114860357
2-(2-aminoethyl)-N-[(4-bromophenyl)methyl]-5-chloro-N-methylaniline
CID 114861618

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-aminoethyl)-5-chlorophenyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine?
The IUPAC name of N'-[2-(2-aminoethyl)-5-chlorophenyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine (CID 102998248) is N'-[2-(2-aminoethyl)-5-chlorophenyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine.
What is the SMILES notation for N'-[2-(2-aminoethyl)-5-chlorophenyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine?
The canonical SMILES for N'-[2-(2-aminoethyl)-5-chlorophenyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine is CCN(CCCN(C)C)c1cc(Cl)ccc1CCN.
What is the InChIKey of N'-[2-(2-aminoethyl)-5-chlorophenyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine?
The InChIKey is AKZTUTZZSDUAPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26ClN3/c1-4-19(11-5-10-18(2)3)15-12-14(16)7-6-13(15)8-9-17/h6-7,12H,4-5,8-11,17H2,1-3H3.
What are the key properties of N'-[2-(2-aminoethyl)-5-chlorophenyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine?
N'-[2-(2-aminoethyl)-5-chlorophenyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine has a molecular weight of 283.85 g/mol, XLogP of 2.62, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-aminoethyl)-5-chlorophenyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine is sourced from PubChem (CID 102998248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).