N'-[(3,4-dichlorophenyl)methyl]-N'-ethyl-N-propan-2-ylethane-1,2-diamine

C14H22Cl2N2 — CID 54986139

IUPACN'-[(3,4-dichlorophenyl)methyl]-N'-ethyl-N-propan-2-ylethane-1,2-diamine
SMILESCCN(CCNC(C)C)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H22Cl2N2/c1-4-18(8-7-17-11(2)3)10-12-5-6-13(15)14(16)9-12/h5-6,9,11,17H,4,7-8,10H2,1-3H3
InChIKeyYBYJALAIBHUBIJ-UHFFFAOYSA-N
MW289.25 g/mol
LogP3.81
Rot. Bonds7

About N'-[(3,4-dichlorophenyl)methyl]-N'-ethyl-N-propan-2-ylethane-1,2-diamine

N'-[(3,4-dichlorophenyl)methyl]-N'-ethyl-N-propan-2-ylethane-1,2-diamine (PubChem CID 54986139) has the molecular formula C14H22Cl2N2 and a molecular weight of 289.25 g/mol. Its IUPAC name is N'-[(3,4-dichlorophenyl)methyl]-N'-ethyl-N-propan-2-ylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(3,4-dichlorophenyl)methyl]-N'-ethyl-N-propan-2-ylethane-1,2-diamine
PubChem CID54986139
Molecular FormulaC14H22Cl2N2
Molecular Weight289.25 g/mol
Exact Mass288.12
IUPAC NameN'-[(3,4-dichlorophenyl)methyl]-N'-ethyl-N-propan-2-ylethane-1,2-diamine
SMILESCCN(CCNC(C)C)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H22Cl2N2/c1-4-18(8-7-17-11(2)3)10-12-5-6-13(15)14(16)9-12/h5-6,9,11,17H,4,7-8,10H2,1-3H3
InChIKeyYBYJALAIBHUBIJ-UHFFFAOYSA-N
XLogP3.81
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.25
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-[(3,4-dichlorophenyl)methyl]-N,N,N'-triethylethane-1,2-diamine
CID 2058180
N'-[(4-bromophenyl)methyl]-N'-ethyl-N-propan-2-ylethane-1,2-diamine
CID 54986042
N'-ethyl-N'-[(4-methoxyphenyl)methyl]-N-propan-2-ylethane-1,2-diamine
CID 55133810
N-[(3,4-dichlorophenyl)methyl]-N',N'-diethylethane-1,2-diamine
CID 4719880
N-[(3,4-dichlorophenyl)methyl]-N',N'-diethylethane-1,2-diamine;dihydrochloride
CID 17294365
N-ethyl-N-[[4-[2-(propan-2-ylamino)ethyl]phenyl]methyl]butan-1-amine
CID 105346595
N-[(3,4-dichlorophenyl)methyl]-N-ethyl-3-piperidin-1-ylpropan-1-amine
CID 54462268
2-[(3,4-dichlorophenyl)methyl-ethylamino]acetonitrile
CID 61035372
4-N-[(3,4-dichlorophenyl)methyl]-1-N,1-N-diethylpentane-1,4-diamine
CID 43080551
(2R)-1-[(3,4-dichlorophenyl)methyl-[(2R)-2-hydroxypropyl]amino]propan-2-ol
CID 783240
1-[(3,4-dichlorophenyl)methyl-(2-hydroxypropyl)amino]propan-2-ol
CID 2846001
N-[2-(3,4-dichlorophenyl)ethyl]butan-2-amine
CID 63046656

Frequently Asked Questions

What is the IUPAC name of N'-[(3,4-dichlorophenyl)methyl]-N'-ethyl-N-propan-2-ylethane-1,2-diamine?
The IUPAC name of N'-[(3,4-dichlorophenyl)methyl]-N'-ethyl-N-propan-2-ylethane-1,2-diamine (CID 54986139) is N'-[(3,4-dichlorophenyl)methyl]-N'-ethyl-N-propan-2-ylethane-1,2-diamine.
What is the SMILES notation for N'-[(3,4-dichlorophenyl)methyl]-N'-ethyl-N-propan-2-ylethane-1,2-diamine?
The canonical SMILES for N'-[(3,4-dichlorophenyl)methyl]-N'-ethyl-N-propan-2-ylethane-1,2-diamine is CCN(CCNC(C)C)Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of N'-[(3,4-dichlorophenyl)methyl]-N'-ethyl-N-propan-2-ylethane-1,2-diamine?
The InChIKey is YBYJALAIBHUBIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22Cl2N2/c1-4-18(8-7-17-11(2)3)10-12-5-6-13(15)14(16)9-12/h5-6,9,11,17H,4,7-8,10H2,1-3H3.
What are the key properties of N'-[(3,4-dichlorophenyl)methyl]-N'-ethyl-N-propan-2-ylethane-1,2-diamine?
N'-[(3,4-dichlorophenyl)methyl]-N'-ethyl-N-propan-2-ylethane-1,2-diamine has a molecular weight of 289.25 g/mol, XLogP of 3.81, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(3,4-dichlorophenyl)methyl]-N'-ethyl-N-propan-2-ylethane-1,2-diamine is sourced from PubChem (CID 54986139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).