2-N-methyl-1-phenyl-2-N-propan-2-ylbutane-1,2-diamine

C14H24N2 — CID 43211372

IUPAC2-N-methyl-1-phenyl-2-N-propan-2-ylbutane-1,2-diamine
SMILESCCC(C(N)c1ccccc1)N(C)C(C)C
InChIInChI=1S/C14H24N2/c1-5-13(16(4)11(2)3)14(15)12-9-7-6-8-10-12/h6-11,13-14H,5,15H2,1-4H3
InChIKeyZLVISRQOABRZBJ-UHFFFAOYSA-N
MW220.36 g/mol
LogP2.81
Rot. Bonds5

About 2-N-methyl-1-phenyl-2-N-propan-2-ylbutane-1,2-diamine

2-N-methyl-1-phenyl-2-N-propan-2-ylbutane-1,2-diamine (PubChem CID 43211372) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is 2-N-methyl-1-phenyl-2-N-propan-2-ylbutane-1,2-diamine.

Molecular Properties

Compound Name2-N-methyl-1-phenyl-2-N-propan-2-ylbutane-1,2-diamine
PubChem CID43211372
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC Name2-N-methyl-1-phenyl-2-N-propan-2-ylbutane-1,2-diamine
SMILESCCC(C(N)c1ccccc1)N(C)C(C)C
InChIInChI=1S/C14H24N2/c1-5-13(16(4)11(2)3)14(15)12-9-7-6-8-10-12/h6-11,13-14H,5,15H2,1-4H3
InChIKeyZLVISRQOABRZBJ-UHFFFAOYSA-N
XLogP2.81
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S,2S)-2-N-methyl-1-phenyl-2-N-propan-2-ylpropane-1,2-diamine
CID 30815552
N'-methyl-1,2-diphenyl-N'-propan-2-ylethane-1,2-diamine
CID 43211370
2-N-[3-(dimethylamino)propyl]-2-N-methyl-1-phenylbutane-1,2-diamine
CID 63695372
2-N-methyl-1-phenyl-2-N-(2-phenylethyl)butane-1,2-diamine
CID 65487407
2-N-ethyl-2-N-(2-ethylbutyl)-1-phenylbutane-1,2-diamine
CID 63467588
(1S,2R)-1-phenylbutane-1,2-diamine
CID 10702186
2-N-methyl-1-phenyl-2-N-(2-pyrrolidin-1-ylethyl)butane-1,2-diamine
CID 63206567
2-N,2-N-diethyl-1-phenylpropane-1,2-diamine
CID 16784984
N',N',2-trimethyl-1-phenylpropane-1,3-diamine
CID 62618546
2-methoxy-1-phenylbutan-1-amine
CID 43211581
2-methyl-1-phenylpropan-1-amine;1-phenylpropan-1-amine
CID 159334217
2-N,3-dimethyl-2-N-(2-methylbutyl)-1-phenylbutane-1,2-diamine
CID 43295709

Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-1-phenyl-2-N-propan-2-ylbutane-1,2-diamine?
The IUPAC name of 2-N-methyl-1-phenyl-2-N-propan-2-ylbutane-1,2-diamine (CID 43211372) is 2-N-methyl-1-phenyl-2-N-propan-2-ylbutane-1,2-diamine.
What is the SMILES notation for 2-N-methyl-1-phenyl-2-N-propan-2-ylbutane-1,2-diamine?
The canonical SMILES for 2-N-methyl-1-phenyl-2-N-propan-2-ylbutane-1,2-diamine is CCC(C(N)c1ccccc1)N(C)C(C)C.
What is the InChIKey of 2-N-methyl-1-phenyl-2-N-propan-2-ylbutane-1,2-diamine?
The InChIKey is ZLVISRQOABRZBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2/c1-5-13(16(4)11(2)3)14(15)12-9-7-6-8-10-12/h6-11,13-14H,5,15H2,1-4H3.
What are the key properties of 2-N-methyl-1-phenyl-2-N-propan-2-ylbutane-1,2-diamine?
2-N-methyl-1-phenyl-2-N-propan-2-ylbutane-1,2-diamine has a molecular weight of 220.36 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-1-phenyl-2-N-propan-2-ylbutane-1,2-diamine is sourced from PubChem (CID 43211372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).