1-(3,4-dichlorophenyl)-3-N,3-N-diethyl-3-methylbutane-2,3-diamine

C15H24Cl2N2 — CID 79054154

IUPAC1-(3,4-dichlorophenyl)-3-N,3-N-diethyl-3-methylbutane-2,3-diamine
SMILESCCN(CC)C(C)(C)C(N)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H24Cl2N2/c1-5-19(6-2)15(3,4)14(18)10-11-7-8-12(16)13(17)9-11/h7-9,14H,5-6,10,18H2,1-4H3
InChIKeySZVHBIWWSRMMLC-UHFFFAOYSA-N
MW303.28 g/mol
LogP3.98
Rot. Bonds6

About 1-(3,4-dichlorophenyl)-3-N,3-N-diethyl-3-methylbutane-2,3-diamine

1-(3,4-dichlorophenyl)-3-N,3-N-diethyl-3-methylbutane-2,3-diamine (PubChem CID 79054154) has the molecular formula C15H24Cl2N2 and a molecular weight of 303.28 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-3-N,3-N-diethyl-3-methylbutane-2,3-diamine.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-3-N,3-N-diethyl-3-methylbutane-2,3-diamine
PubChem CID79054154
Molecular FormulaC15H24Cl2N2
Molecular Weight303.28 g/mol
Exact Mass302.13
IUPAC Name1-(3,4-dichlorophenyl)-3-N,3-N-diethyl-3-methylbutane-2,3-diamine
SMILESCCN(CC)C(C)(C)C(N)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H24Cl2N2/c1-5-19(6-2)15(3,4)14(18)10-11-7-8-12(16)13(17)9-11/h7-9,14H,5-6,10,18H2,1-4H3
InChIKeySZVHBIWWSRMMLC-UHFFFAOYSA-N
XLogP3.98
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.28
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromo-4-methoxyphenyl)-3-N,3-N-diethyl-3-methylbutane-2,3-diamine
CID 79053067
1-(3-chloro-4-fluorophenyl)-3-N,3-N,3-trimethylbutane-2,3-diamine
CID 103040194
1-(3-chloro-4-fluorophenyl)-3-N,3-N,3-triethylpentane-2,3-diamine
CID 103040222
3-N,3-N-diethyl-1-(furan-3-yl)-3-methylbutane-2,3-diamine
CID 83175467
1-(3,4-dichlorophenyl)butan-2-amine;hydrochloride
CID 170888463
1-(3,4-dichlorophenyl)-4,4-dimethylpentan-3-amine
CID 43175882
1-(4-tert-butylphenyl)-2-(3,4-dichlorophenyl)ethanamine
CID 63415791
4-(3,4-dichlorophenyl)-2,3-dimethylbutan-1-amine
CID 81014897
4-[1-amino-2-(3,4-dichlorophenyl)ethyl]-N,N-dimethylaniline
CID 105136553
1-(4-chloro-3-fluorophenyl)-N,N-diethyl-2-hydrazinyl-3-methylpentan-3-amine
CID 107895162
1,2-dichloro-4-(3-chloro-2-methylpentyl)benzene
CID 63559736
tert-butyl 2-amino-3-(3,4-dichlorophenyl)propanoate
CID 83226012

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-3-N,3-N-diethyl-3-methylbutane-2,3-diamine?
The IUPAC name of 1-(3,4-dichlorophenyl)-3-N,3-N-diethyl-3-methylbutane-2,3-diamine (CID 79054154) is 1-(3,4-dichlorophenyl)-3-N,3-N-diethyl-3-methylbutane-2,3-diamine.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-3-N,3-N-diethyl-3-methylbutane-2,3-diamine?
The canonical SMILES for 1-(3,4-dichlorophenyl)-3-N,3-N-diethyl-3-methylbutane-2,3-diamine is CCN(CC)C(C)(C)C(N)Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-3-N,3-N-diethyl-3-methylbutane-2,3-diamine?
The InChIKey is SZVHBIWWSRMMLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24Cl2N2/c1-5-19(6-2)15(3,4)14(18)10-11-7-8-12(16)13(17)9-11/h7-9,14H,5-6,10,18H2,1-4H3.
What are the key properties of 1-(3,4-dichlorophenyl)-3-N,3-N-diethyl-3-methylbutane-2,3-diamine?
1-(3,4-dichlorophenyl)-3-N,3-N-diethyl-3-methylbutane-2,3-diamine has a molecular weight of 303.28 g/mol, XLogP of 3.98, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-3-N,3-N-diethyl-3-methylbutane-2,3-diamine is sourced from PubChem (CID 79054154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).