2-N-[1-(3-chlorophenyl)ethyl]-2-N-methyl-1-N-(2-methylpropyl)pentane-1,2-diamine

C18H31ClN2 — CID 83039474

IUPAC2-N-[1-(3-chlorophenyl)ethyl]-2-N-methyl-1-N-(2-methylpropyl)pentane-1,2-diamine
SMILESCCCC(CNCC(C)C)N(C)C(C)c1cccc(Cl)c1
InChIInChI=1S/C18H31ClN2/c1-6-8-18(13-20-12-14(2)3)21(5)15(4)16-9-7-10-17(19)11-16/h7,9-11,14-15,18,20H,6,8,12-13H2,1-5H3
InChIKeyHAGKKNWRIJVDAK-UHFFFAOYSA-N
MW310.91 g/mol
LogP4.75
Rot. Bonds9

About 2-N-[1-(3-chlorophenyl)ethyl]-2-N-methyl-1-N-(2-methylpropyl)pentane-1,2-diamine

2-N-[1-(3-chlorophenyl)ethyl]-2-N-methyl-1-N-(2-methylpropyl)pentane-1,2-diamine (PubChem CID 83039474) has the molecular formula C18H31ClN2 and a molecular weight of 310.91 g/mol. Its IUPAC name is 2-N-[1-(3-chlorophenyl)ethyl]-2-N-methyl-1-N-(2-methylpropyl)pentane-1,2-diamine.

Molecular Properties

Compound Name2-N-[1-(3-chlorophenyl)ethyl]-2-N-methyl-1-N-(2-methylpropyl)pentane-1,2-diamine
PubChem CID83039474
Molecular FormulaC18H31ClN2
Molecular Weight310.91 g/mol
Exact Mass310.22
IUPAC Name2-N-[1-(3-chlorophenyl)ethyl]-2-N-methyl-1-N-(2-methylpropyl)pentane-1,2-diamine
SMILESCCCC(CNCC(C)C)N(C)C(C)c1cccc(Cl)c1
InChIInChI=1S/C18H31ClN2/c1-6-8-18(13-20-12-14(2)3)21(5)15(4)16-9-7-10-17(19)11-16/h7,9-11,14-15,18,20H,6,8,12-13H2,1-5H3
InChIKeyHAGKKNWRIJVDAK-UHFFFAOYSA-N
XLogP4.75
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.91
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-N-[1-(3-chlorophenyl)ethyl]-2-N-methyl-1-N-(2-methylpropyl)butane-1,2-diamine
CID 63492270
2-N-[(3-chlorophenyl)methyl]-2-N-methyl-1-N-(2-methylpropyl)pentane-1,2-diamine
CID 83054284
2-(3-chlorophenyl)-N-(2-methylpropyl)nonan-1-amine
CID 79433186
N-[2-(3-chlorophenyl)propyl]-2-methylpropan-1-amine
CID 66436956
4-N-[1-(3-chlorophenyl)ethyl]-1-N-ethyl-4-N-methylpentane-1,4-diamine
CID 62984747
2-(3-chlorophenyl)-5-ethoxy-N-(2-methylpropyl)pentan-1-amine
CID 79443619
4-N-[1-(3-chlorophenyl)ethyl]-1-N,4-N-dimethylpentane-1,4-diamine
CID 55142410
3-[1-(3-chlorophenyl)ethyl-methylamino]-N'-hydroxypentanimidamide
CID 55140663
4-amino-3-[1-(3-chlorophenyl)ethyl-methylamino]-N-propylbutanamide
CID 66428887
2-N-[1-(3-chlorophenyl)ethyl]-3-methoxy-2-N-methylpropane-1,2-diamine
CID 103226414
ethyl 2-[1-(3-chlorophenyl)ethyl-methylamino]propanoate
CID 62979536
(2S)-2-[[1-(3-chlorophenyl)ethyl-methylcarbamoyl]amino]pentanoic acid
CID 107566911

Frequently Asked Questions

What is the IUPAC name of 2-N-[1-(3-chlorophenyl)ethyl]-2-N-methyl-1-N-(2-methylpropyl)pentane-1,2-diamine?
The IUPAC name of 2-N-[1-(3-chlorophenyl)ethyl]-2-N-methyl-1-N-(2-methylpropyl)pentane-1,2-diamine (CID 83039474) is 2-N-[1-(3-chlorophenyl)ethyl]-2-N-methyl-1-N-(2-methylpropyl)pentane-1,2-diamine.
What is the SMILES notation for 2-N-[1-(3-chlorophenyl)ethyl]-2-N-methyl-1-N-(2-methylpropyl)pentane-1,2-diamine?
The canonical SMILES for 2-N-[1-(3-chlorophenyl)ethyl]-2-N-methyl-1-N-(2-methylpropyl)pentane-1,2-diamine is CCCC(CNCC(C)C)N(C)C(C)c1cccc(Cl)c1.
What is the InChIKey of 2-N-[1-(3-chlorophenyl)ethyl]-2-N-methyl-1-N-(2-methylpropyl)pentane-1,2-diamine?
The InChIKey is HAGKKNWRIJVDAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31ClN2/c1-6-8-18(13-20-12-14(2)3)21(5)15(4)16-9-7-10-17(19)11-16/h7,9-11,14-15,18,20H,6,8,12-13H2,1-5H3.
What are the key properties of 2-N-[1-(3-chlorophenyl)ethyl]-2-N-methyl-1-N-(2-methylpropyl)pentane-1,2-diamine?
2-N-[1-(3-chlorophenyl)ethyl]-2-N-methyl-1-N-(2-methylpropyl)pentane-1,2-diamine has a molecular weight of 310.91 g/mol, XLogP of 4.75, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[1-(3-chlorophenyl)ethyl]-2-N-methyl-1-N-(2-methylpropyl)pentane-1,2-diamine is sourced from PubChem (CID 83039474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).