2-N-ethyl-1-N-methyl-1-N-(2-phenylethyl)butane-1,2-diamine

C15H26N2 — CID 65487022

IUPAC2-N-ethyl-1-N-methyl-1-N-(2-phenylethyl)butane-1,2-diamine
SMILESCCNC(CC)CN(C)CCc1ccccc1
InChIInChI=1S/C15H26N2/c1-4-15(16-5-2)13-17(3)12-11-14-9-7-6-8-10-14/h6-10,15-16H,4-5,11-13H2,1-3H3
InChIKeyIGOLHWKRFSMJPP-UHFFFAOYSA-N
MW234.39 g/mol
LogP2.55
Rot. Bonds8

About 2-N-ethyl-1-N-methyl-1-N-(2-phenylethyl)butane-1,2-diamine

2-N-ethyl-1-N-methyl-1-N-(2-phenylethyl)butane-1,2-diamine (PubChem CID 65487022) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is 2-N-ethyl-1-N-methyl-1-N-(2-phenylethyl)butane-1,2-diamine.

Molecular Properties

Compound Name2-N-ethyl-1-N-methyl-1-N-(2-phenylethyl)butane-1,2-diamine
PubChem CID65487022
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC Name2-N-ethyl-1-N-methyl-1-N-(2-phenylethyl)butane-1,2-diamine
SMILESCCNC(CC)CN(C)CCc1ccccc1
InChIInChI=1S/C15H26N2/c1-4-15(16-5-2)13-17(3)12-11-14-9-7-6-8-10-14/h6-10,15-16H,4-5,11-13H2,1-3H3
InChIKeyIGOLHWKRFSMJPP-UHFFFAOYSA-N
XLogP2.55
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-benzyl-2-N-ethyl-1-N-methylbutane-1,2-diamine
CID 62038846
2-(ethylamino)-3-[methyl(2-phenylethyl)amino]propanoic acid
CID 65485946
2-(ethylamino)-3-[methyl(2-phenylethyl)amino]propanamide
CID 65487669
methyl 2-(ethylamino)-3-[methyl(2-phenylethyl)amino]propanoate
CID 65487284
1-N-benzyl-4-N-ethyl-1-N-methylhexane-1,4-diamine
CID 106799242
1-N,2-N-dimethyl-1-N-(2-phenylethyl)propane-1,2-diamine
CID 20979710
N-butan-2-yl-N'-methyl-N'-(2-phenylethyl)ethane-1,2-diamine
CID 65487888
2-N-ethyl-1-N-methyl-1-N-(2-methylpropyl)butane-1,2-diamine
CID 62040549
2-N-ethyl-1-N-methyl-1-N-pentylbutane-1,2-diamine
CID 62040977
(2S)-2-[(3-methoxyphenyl)methylamino]-3-[methyl(2-phenylethyl)amino]propan-1-ol
CID 101347928
N,N'-dimethyl-N'-(2-phenylethyl)-2-propan-2-ylpropane-1,3-diamine
CID 115252931
1-N,1-N,4-N,4-N-tetramethyl-2-N-[2-[methyl(2-phenylethyl)amino]ethyl]butane-1,2,4-triamine
CID 122628409

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-1-N-methyl-1-N-(2-phenylethyl)butane-1,2-diamine?
The IUPAC name of 2-N-ethyl-1-N-methyl-1-N-(2-phenylethyl)butane-1,2-diamine (CID 65487022) is 2-N-ethyl-1-N-methyl-1-N-(2-phenylethyl)butane-1,2-diamine.
What is the SMILES notation for 2-N-ethyl-1-N-methyl-1-N-(2-phenylethyl)butane-1,2-diamine?
The canonical SMILES for 2-N-ethyl-1-N-methyl-1-N-(2-phenylethyl)butane-1,2-diamine is CCNC(CC)CN(C)CCc1ccccc1.
What is the InChIKey of 2-N-ethyl-1-N-methyl-1-N-(2-phenylethyl)butane-1,2-diamine?
The InChIKey is IGOLHWKRFSMJPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2/c1-4-15(16-5-2)13-17(3)12-11-14-9-7-6-8-10-14/h6-10,15-16H,4-5,11-13H2,1-3H3.
What are the key properties of 2-N-ethyl-1-N-methyl-1-N-(2-phenylethyl)butane-1,2-diamine?
2-N-ethyl-1-N-methyl-1-N-(2-phenylethyl)butane-1,2-diamine has a molecular weight of 234.39 g/mol, XLogP of 2.55, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-1-N-methyl-1-N-(2-phenylethyl)butane-1,2-diamine is sourced from PubChem (CID 65487022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).