1-N-methyl-1-N-(2-phenylethyl)butane-1,3-diamine

C13H22N2 — CID 65488739

IUPAC1-N-methyl-1-N-(2-phenylethyl)butane-1,3-diamine
SMILESCC(N)CCN(C)CCc1ccccc1
InChIInChI=1S/C13H22N2/c1-12(14)8-10-15(2)11-9-13-6-4-3-5-7-13/h3-7,12H,8-11,14H2,1-2H3
InChIKeyDKVMFEYURNIIAF-UHFFFAOYSA-N
MW206.33 g/mol
LogP1.90
Rot. Bonds6

About 1-N-methyl-1-N-(2-phenylethyl)butane-1,3-diamine

1-N-methyl-1-N-(2-phenylethyl)butane-1,3-diamine (PubChem CID 65488739) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is 1-N-methyl-1-N-(2-phenylethyl)butane-1,3-diamine.

Molecular Properties

Compound Name1-N-methyl-1-N-(2-phenylethyl)butane-1,3-diamine
PubChem CID65488739
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Name1-N-methyl-1-N-(2-phenylethyl)butane-1,3-diamine
SMILESCC(N)CCN(C)CCc1ccccc1
InChIInChI=1S/C13H22N2/c1-12(14)8-10-15(2)11-9-13-6-4-3-5-7-13/h3-7,12H,8-11,14H2,1-2H3
InChIKeyDKVMFEYURNIIAF-UHFFFAOYSA-N
XLogP1.90
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-[2-(4-fluorophenyl)ethyl]-1-N-methylbutane-1,3-diamine
CID 115199612
(2S)-4-phenylbutan-2-amine
CID 6994564
N'-methyl-1-(2-methylphenyl)-N'-(2-phenylethyl)propane-1,3-diamine
CID 65488249
1-(2-fluorophenyl)-N'-methyl-N'-(2-phenylethyl)propane-1,3-diamine
CID 65487482
1-N-methyl-1-N-(3-methylbutyl)-4-phenylbutane-1,2-diamine
CID 114929591
N-[4-[methyl(2-phenylethyl)amino]butan-2-yl]-N-phenylpropanamide
CID 11724725
1-(3-bromophenyl)-N'-methyl-N'-(2-phenylethyl)propane-1,3-diamine
CID 65487295
N-methyl-4-phenyl-N-(2-phenylethyl)butan-2-amine;hydrochloride
CID 158803245
3-(4-fluorophenyl)sulfonyl-N-methyl-N-(2-phenylethyl)butan-1-amine
CID 70090592
5-[2-[3-aminobutyl(methyl)amino]ethyl]-1,3-dihydrobenzimidazol-2-one
CID 115199666
1-N,2-N-dimethyl-1-N-(2-phenylethyl)propane-1,2-diamine
CID 20979710
N'-methyl-N'-(2-phenylethyl)-N-propan-2-ylbutane-1,4-diamine
CID 65486365

Frequently Asked Questions

What is the IUPAC name of 1-N-methyl-1-N-(2-phenylethyl)butane-1,3-diamine?
The IUPAC name of 1-N-methyl-1-N-(2-phenylethyl)butane-1,3-diamine (CID 65488739) is 1-N-methyl-1-N-(2-phenylethyl)butane-1,3-diamine.
What is the SMILES notation for 1-N-methyl-1-N-(2-phenylethyl)butane-1,3-diamine?
The canonical SMILES for 1-N-methyl-1-N-(2-phenylethyl)butane-1,3-diamine is CC(N)CCN(C)CCc1ccccc1.
What is the InChIKey of 1-N-methyl-1-N-(2-phenylethyl)butane-1,3-diamine?
The InChIKey is DKVMFEYURNIIAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2/c1-12(14)8-10-15(2)11-9-13-6-4-3-5-7-13/h3-7,12H,8-11,14H2,1-2H3.
What are the key properties of 1-N-methyl-1-N-(2-phenylethyl)butane-1,3-diamine?
1-N-methyl-1-N-(2-phenylethyl)butane-1,3-diamine has a molecular weight of 206.33 g/mol, XLogP of 1.90, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-methyl-1-N-(2-phenylethyl)butane-1,3-diamine is sourced from PubChem (CID 65488739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).