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

C15H26ClN3 — CID 102991476

IUPACN'-[2-amino-1-(3-chlorophenyl)ethyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
SMILESCCN(CCCN(C)C)C(CN)c1cccc(Cl)c1
InChIInChI=1S/C15H26ClN3/c1-4-19(10-6-9-18(2)3)15(12-17)13-7-5-8-14(16)11-13/h5,7-8,11,15H,4,6,9-10,12,17H2,1-3H3
InChIKeyGSLCSGSYOFHGTG-UHFFFAOYSA-N
MW283.85 g/mol
LogP2.61
Rot. Bonds8

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

N'-[2-amino-1-(3-chlorophenyl)ethyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine (PubChem CID 102991476) has the molecular formula C15H26ClN3 and a molecular weight of 283.85 g/mol. Its IUPAC name is N'-[2-amino-1-(3-chlorophenyl)ethyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[2-amino-1-(3-chlorophenyl)ethyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
PubChem CID102991476
Molecular FormulaC15H26ClN3
Molecular Weight283.85 g/mol
Exact Mass283.18
IUPAC NameN'-[2-amino-1-(3-chlorophenyl)ethyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
SMILESCCN(CCCN(C)C)C(CN)c1cccc(Cl)c1
InChIInChI=1S/C15H26ClN3/c1-4-19(10-6-9-18(2)3)15(12-17)13-7-5-8-14(16)11-13/h5,7-8,11,15H,4,6,9-10,12,17H2,1-3H3
InChIKeyGSLCSGSYOFHGTG-UHFFFAOYSA-N
XLogP2.61
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 ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-[2-amino-1-(3-fluorophenyl)ethyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 102991412
1-(3-chlorophenyl)-N-(2-ethoxyethyl)-N-ethylethane-1,2-diamine
CID 63695739
N'-[2-amino-1-(2,6-dichlorophenyl)ethyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 102991984
N'-[2-amino-1-(4-bromophenyl)ethyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 102991504
1-(3-chlorophenyl)-N-ethyl-N-propan-2-ylethane-1,2-diamine
CID 43265560
N-butan-2-yl-N-butyl-1-(3-chlorophenyl)ethane-1,2-diamine
CID 60710064
N'-[2-amino-1-(4-cyclopropylphenyl)ethyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 102991833
N'-[2-amino-1-(2-fluorophenyl)ethyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 102991464
N'-[(1R)-1-(3-chlorophenyl)ethyl]-N'-ethylethane-1,2-diamine;hydrochloride
CID 176718534
N'-[1-(3-chlorophenyl)ethyl]-N'-ethylethane-1,2-diamine;dihydrochloride
CID 170305796
1-(3-chlorophenyl)-N-methyl-N-(3-methylphenyl)ethane-1,2-diamine
CID 62001665
1-(3-chlorophenyl)-N'-[1-(dimethylamino)propan-2-yl]-N'-ethylpropane-1,3-diamine
CID 103191368

Frequently Asked Questions

What is the IUPAC name of N'-[2-amino-1-(3-chlorophenyl)ethyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine?
The IUPAC name of N'-[2-amino-1-(3-chlorophenyl)ethyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine (CID 102991476) is N'-[2-amino-1-(3-chlorophenyl)ethyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine.
What is the SMILES notation for N'-[2-amino-1-(3-chlorophenyl)ethyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine?
The canonical SMILES for N'-[2-amino-1-(3-chlorophenyl)ethyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine is CCN(CCCN(C)C)C(CN)c1cccc(Cl)c1.
What is the InChIKey of N'-[2-amino-1-(3-chlorophenyl)ethyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine?
The InChIKey is GSLCSGSYOFHGTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26ClN3/c1-4-19(10-6-9-18(2)3)15(12-17)13-7-5-8-14(16)11-13/h5,7-8,11,15H,4,6,9-10,12,17H2,1-3H3.
What are the key properties of N'-[2-amino-1-(3-chlorophenyl)ethyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine?
N'-[2-amino-1-(3-chlorophenyl)ethyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine has a molecular weight of 283.85 g/mol, XLogP of 2.61, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-amino-1-(3-chlorophenyl)ethyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine is sourced from PubChem (CID 102991476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).