2-N-[1-(2-chlorophenyl)ethyl]-2-N,3-dimethyl-1-N-propan-2-ylbutane-1,2-diamine

C17H29ClN2 — CID 62986141

IUPAC2-N-[1-(2-chlorophenyl)ethyl]-2-N,3-dimethyl-1-N-propan-2-ylbutane-1,2-diamine
SMILESCC(C)NCC(C(C)C)N(C)C(C)c1ccccc1Cl
InChIInChI=1S/C17H29ClN2/c1-12(2)17(11-19-13(3)4)20(6)14(5)15-9-7-8-10-16(15)18/h7-10,12-14,17,19H,11H2,1-6H3
InChIKeyBDBUFRQVGZEGNP-UHFFFAOYSA-N
MW296.89 g/mol
LogP4.36
Rot. Bonds7

About 2-N-[1-(2-chlorophenyl)ethyl]-2-N,3-dimethyl-1-N-propan-2-ylbutane-1,2-diamine

2-N-[1-(2-chlorophenyl)ethyl]-2-N,3-dimethyl-1-N-propan-2-ylbutane-1,2-diamine (PubChem CID 62986141) has the molecular formula C17H29ClN2 and a molecular weight of 296.89 g/mol. Its IUPAC name is 2-N-[1-(2-chlorophenyl)ethyl]-2-N,3-dimethyl-1-N-propan-2-ylbutane-1,2-diamine.

Molecular Properties

Compound Name2-N-[1-(2-chlorophenyl)ethyl]-2-N,3-dimethyl-1-N-propan-2-ylbutane-1,2-diamine
PubChem CID62986141
Molecular FormulaC17H29ClN2
Molecular Weight296.89 g/mol
Exact Mass296.20
IUPAC Name2-N-[1-(2-chlorophenyl)ethyl]-2-N,3-dimethyl-1-N-propan-2-ylbutane-1,2-diamine
SMILESCC(C)NCC(C(C)C)N(C)C(C)c1ccccc1Cl
InChIInChI=1S/C17H29ClN2/c1-12(2)17(11-19-13(3)4)20(6)14(5)15-9-7-8-10-16(15)18/h7-10,12-14,17,19H,11H2,1-6H3
InChIKeyBDBUFRQVGZEGNP-UHFFFAOYSA-N
XLogP4.36
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.89
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-N-[1-(2-chlorophenyl)ethyl]-2-N,3-dimethyl-1-N-(2-methylpropyl)butane-1,2-diamine
CID 63490702
2-N-[1-(2-chlorophenyl)ethyl]-2-N,3-dimethyl-1-N-propylbutane-1,2-diamine
CID 63490527
2-N-[1-(2-chlorophenyl)ethyl]-2-N-methyl-1-N-propan-2-ylpentane-1,2-diamine
CID 83054501
N-[2-(2-chlorophenyl)-2-methoxyethyl]propan-2-amine
CID 62107818
N-[2-(2-chlorophenyl)-2-(2-methylpropoxy)ethyl]propan-2-amine
CID 62108651
2-N-[1-(2-chlorophenyl)ethyl]-2-N-methyl-1-N-pentan-3-ylpropane-1,2-diamine
CID 63502805
(1S)-1-(2-chlorophenyl)-2-(propan-2-ylamino)ethanol;hydrochloride
CID 76957004
2-(2-chlorophenyl)-3-ethoxy-N-propan-2-ylpropan-1-amine
CID 103984866
2-N-[1-(2-chlorophenyl)ethyl]-1-N-cyclohexyl-2-N-methylpropane-1,2-diamine
CID 63501762
sodium;1-(2-chlorophenyl)-2-(propan-2-ylamino)ethanol;hydride;hydrate;hydrochloride
CID 173081164
methyl 3-[1-(2-chlorophenyl)ethyl-methylamino]butanoate
CID 62978673
N-(2-chloroethyl)-1-(2-chlorophenyl)-N-methylethanamine
CID 62984501

Frequently Asked Questions

What is the IUPAC name of 2-N-[1-(2-chlorophenyl)ethyl]-2-N,3-dimethyl-1-N-propan-2-ylbutane-1,2-diamine?
The IUPAC name of 2-N-[1-(2-chlorophenyl)ethyl]-2-N,3-dimethyl-1-N-propan-2-ylbutane-1,2-diamine (CID 62986141) is 2-N-[1-(2-chlorophenyl)ethyl]-2-N,3-dimethyl-1-N-propan-2-ylbutane-1,2-diamine.
What is the SMILES notation for 2-N-[1-(2-chlorophenyl)ethyl]-2-N,3-dimethyl-1-N-propan-2-ylbutane-1,2-diamine?
The canonical SMILES for 2-N-[1-(2-chlorophenyl)ethyl]-2-N,3-dimethyl-1-N-propan-2-ylbutane-1,2-diamine is CC(C)NCC(C(C)C)N(C)C(C)c1ccccc1Cl.
What is the InChIKey of 2-N-[1-(2-chlorophenyl)ethyl]-2-N,3-dimethyl-1-N-propan-2-ylbutane-1,2-diamine?
The InChIKey is BDBUFRQVGZEGNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29ClN2/c1-12(2)17(11-19-13(3)4)20(6)14(5)15-9-7-8-10-16(15)18/h7-10,12-14,17,19H,11H2,1-6H3.
What are the key properties of 2-N-[1-(2-chlorophenyl)ethyl]-2-N,3-dimethyl-1-N-propan-2-ylbutane-1,2-diamine?
2-N-[1-(2-chlorophenyl)ethyl]-2-N,3-dimethyl-1-N-propan-2-ylbutane-1,2-diamine has a molecular weight of 296.89 g/mol, XLogP of 4.36, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[1-(2-chlorophenyl)ethyl]-2-N,3-dimethyl-1-N-propan-2-ylbutane-1,2-diamine is sourced from PubChem (CID 62986141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).