N-[1-(4-chlorophenyl)propan-2-yl]-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine

C15H25ClN2O — CID 103910607

IUPACN-[1-(4-chlorophenyl)propan-2-yl]-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
SMILESCOCCN(C)CCNC(C)Cc1ccc(Cl)cc1
InChIInChI=1S/C15H25ClN2O/c1-13(12-14-4-6-15(16)7-5-14)17-8-9-18(2)10-11-19-3/h4-7,13,17H,8-12H2,1-3H3
InChIKeyMQIXKSKHAWUBNJ-UHFFFAOYSA-N
MW284.83 g/mol
LogP2.44
Rot. Bonds9

About N-[1-(4-chlorophenyl)propan-2-yl]-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine

N-[1-(4-chlorophenyl)propan-2-yl]-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine (PubChem CID 103910607) has the molecular formula C15H25ClN2O and a molecular weight of 284.83 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)propan-2-yl]-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)propan-2-yl]-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
PubChem CID103910607
Molecular FormulaC15H25ClN2O
Molecular Weight284.83 g/mol
Exact Mass284.17
IUPAC NameN-[1-(4-chlorophenyl)propan-2-yl]-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
SMILESCOCCN(C)CCNC(C)Cc1ccc(Cl)cc1
InChIInChI=1S/C15H25ClN2O/c1-13(12-14-4-6-15(16)7-5-14)17-8-9-18(2)10-11-19-3/h4-7,13,17H,8-12H2,1-3H3
InChIKeyMQIXKSKHAWUBNJ-UHFFFAOYSA-N
XLogP2.44
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.83
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-chlorophenyl)propan-2-yl]-4-methoxybutan-1-amine
CID 103910375
N-[1-(3-fluorophenyl)propan-2-yl]-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 115716338
1-(4-chlorophenyl)-N-[2-[2-(dimethylamino)ethoxy]ethyl]propan-2-amine
CID 107094072
3-[1-(4-chlorophenyl)propan-2-ylamino]-N-(2-methoxyethyl)propanamide
CID 103910437
N-(2-chloroethyl)-1-(4-chlorophenyl)propan-2-amine;hydrochloride
CID 160563522
N-[1-(4-ethylphenyl)ethyl]-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 55126526
N'-(2-methoxyethyl)-N'-methyl-N-[(4-propan-2-ylphenyl)methyl]ethane-1,2-diamine
CID 62843413
3-[2-[2-methoxyethyl(methyl)amino]ethylamino]butanenitrile
CID 62842933
N'-[(4-chlorophenyl)methyl]-N-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 55070478
N'-[1-(4-chlorophenyl)ethyl]-N-(1-methoxypropan-2-yl)-N'-methylethane-1,2-diamine
CID 62984575
methyl 4-[1-(4-chlorophenyl)propan-2-ylamino]butanoate
CID 103917108
1-(4-chlorophenyl)-N'-(2-methoxyethyl)-N'-methyl-N-propylpropane-1,3-diamine
CID 62643008

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)propan-2-yl]-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine?
The IUPAC name of N-[1-(4-chlorophenyl)propan-2-yl]-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine (CID 103910607) is N-[1-(4-chlorophenyl)propan-2-yl]-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine.
What is the SMILES notation for N-[1-(4-chlorophenyl)propan-2-yl]-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine?
The canonical SMILES for N-[1-(4-chlorophenyl)propan-2-yl]-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine is COCCN(C)CCNC(C)Cc1ccc(Cl)cc1.
What is the InChIKey of N-[1-(4-chlorophenyl)propan-2-yl]-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine?
The InChIKey is MQIXKSKHAWUBNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25ClN2O/c1-13(12-14-4-6-15(16)7-5-14)17-8-9-18(2)10-11-19-3/h4-7,13,17H,8-12H2,1-3H3.
What are the key properties of N-[1-(4-chlorophenyl)propan-2-yl]-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine?
N-[1-(4-chlorophenyl)propan-2-yl]-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine has a molecular weight of 284.83 g/mol, XLogP of 2.44, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)propan-2-yl]-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine is sourced from PubChem (CID 103910607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).