1-(2-chlorophenyl)-1-N-ethyl-1-N-propan-2-ylbutane-1,2-diamine

C15H25ClN2 — CID 55018516

IUPAC1-(2-chlorophenyl)-1-N-ethyl-1-N-propan-2-ylbutane-1,2-diamine
SMILESCCC(N)C(c1ccccc1Cl)N(CC)C(C)C
InChIInChI=1S/C15H25ClN2/c1-5-14(17)15(18(6-2)11(3)4)12-9-7-8-10-13(12)16/h7-11,14-15H,5-6,17H2,1-4H3
InChIKeyJLLZYXXTRQCPQX-UHFFFAOYSA-N
MW268.83 g/mol
LogP3.85
Rot. Bonds6

About 1-(2-chlorophenyl)-1-N-ethyl-1-N-propan-2-ylbutane-1,2-diamine

1-(2-chlorophenyl)-1-N-ethyl-1-N-propan-2-ylbutane-1,2-diamine (PubChem CID 55018516) has the molecular formula C15H25ClN2 and a molecular weight of 268.83 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-1-N-ethyl-1-N-propan-2-ylbutane-1,2-diamine.

Molecular Properties

Compound Name1-(2-chlorophenyl)-1-N-ethyl-1-N-propan-2-ylbutane-1,2-diamine
PubChem CID55018516
Molecular FormulaC15H25ClN2
Molecular Weight268.83 g/mol
Exact Mass268.17
IUPAC Name1-(2-chlorophenyl)-1-N-ethyl-1-N-propan-2-ylbutane-1,2-diamine
SMILESCCC(N)C(c1ccccc1Cl)N(CC)C(C)C
InChIInChI=1S/C15H25ClN2/c1-5-14(17)15(18(6-2)11(3)4)12-9-7-8-10-13(12)16/h7-11,14-15H,5-6,17H2,1-4H3
InChIKeyJLLZYXXTRQCPQX-UHFFFAOYSA-N
XLogP3.85
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.83
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[2-amino-1-(2-chlorophenyl)butyl]-methylamino]-2-methylpropan-2-ol
CID 79384483
1-(2-chlorophenyl)-1-N-(cyclopropylmethyl)-1-N-ethylbutane-1,2-diamine
CID 63954907
1-(2-chlorophenyl)-1-N-cyclopentyl-1-N-methylbutane-1,2-diamine
CID 55022362
1-N-ethyl-1-(2-methylphenyl)-1-N-propan-2-ylpropane-1,2-diamine
CID 55018276
2-N-[2-amino-1-(2-chlorophenyl)ethyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103187856
1-(2-fluorophenyl)-1-N-(2-methoxyethyl)-1-N-propan-2-ylbutane-1,2-diamine
CID 82949014
1-(2-chlorophenyl)-N-ethyl-N-methylethanamine
CID 126986399
1-N-butyl-1-(2-chlorophenyl)-1-N-methylpropane-1,2-diamine
CID 55018949
1-(2-chlorophenyl)-2-N,2-N,2-triethylbutane-1,2-diamine
CID 79061666
1-(2-chlorophenyl)-1-N-methyl-1-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butane-1,2-diamine
CID 63843159
6-(2-chlorophenyl)heptan-3-amine
CID 83924191
1-N-butan-2-yl-1-N-butyl-1-(2-methylphenyl)butane-1,2-diamine
CID 63404265

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-1-N-ethyl-1-N-propan-2-ylbutane-1,2-diamine?
The IUPAC name of 1-(2-chlorophenyl)-1-N-ethyl-1-N-propan-2-ylbutane-1,2-diamine (CID 55018516) is 1-(2-chlorophenyl)-1-N-ethyl-1-N-propan-2-ylbutane-1,2-diamine.
What is the SMILES notation for 1-(2-chlorophenyl)-1-N-ethyl-1-N-propan-2-ylbutane-1,2-diamine?
The canonical SMILES for 1-(2-chlorophenyl)-1-N-ethyl-1-N-propan-2-ylbutane-1,2-diamine is CCC(N)C(c1ccccc1Cl)N(CC)C(C)C.
What is the InChIKey of 1-(2-chlorophenyl)-1-N-ethyl-1-N-propan-2-ylbutane-1,2-diamine?
The InChIKey is JLLZYXXTRQCPQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25ClN2/c1-5-14(17)15(18(6-2)11(3)4)12-9-7-8-10-13(12)16/h7-11,14-15H,5-6,17H2,1-4H3.
What are the key properties of 1-(2-chlorophenyl)-1-N-ethyl-1-N-propan-2-ylbutane-1,2-diamine?
1-(2-chlorophenyl)-1-N-ethyl-1-N-propan-2-ylbutane-1,2-diamine has a molecular weight of 268.83 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-1-N-ethyl-1-N-propan-2-ylbutane-1,2-diamine is sourced from PubChem (CID 55018516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).