1-N,1-N-dimethyl-4-phenylbutane-1,2-diamine

C12H20N2 — CID 69151806

IUPAC1-N,1-N-dimethyl-4-phenylbutane-1,2-diamine
SMILESCN(C)CC(N)CCc1ccccc1
InChIInChI=1S/C12H20N2/c1-14(2)10-12(13)9-8-11-6-4-3-5-7-11/h3-7,12H,8-10,13H2,1-2H3
InChIKeyIXMVOVJULRXOEV-UHFFFAOYSA-N
MW192.31 g/mol
LogP1.51
Rot. Bonds5

About 1-N,1-N-dimethyl-4-phenylbutane-1,2-diamine

1-N,1-N-dimethyl-4-phenylbutane-1,2-diamine (PubChem CID 69151806) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is 1-N,1-N-dimethyl-4-phenylbutane-1,2-diamine.

Molecular Properties

Compound Name1-N,1-N-dimethyl-4-phenylbutane-1,2-diamine
PubChem CID69151806
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name1-N,1-N-dimethyl-4-phenylbutane-1,2-diamine
SMILESCN(C)CC(N)CCc1ccccc1
InChIInChI=1S/C12H20N2/c1-14(2)10-12(13)9-8-11-6-4-3-5-7-11/h3-7,12H,8-10,13H2,1-2H3
InChIKeyIXMVOVJULRXOEV-UHFFFAOYSA-N
XLogP1.51
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-methyl-1-N-(3-methylbutyl)-4-phenylbutane-1,2-diamine
CID 114929591
1-N-(3,3-dimethylbutan-2-yl)-1-N-methyl-4-phenylbutane-1,2-diamine
CID 114929647
N,N-dimethyl-4-phenyl-2-(2-phenylethyl)butan-1-amine;hydrobromide
CID 173427481
1-N-cyclohexyl-1-N-methyl-4-phenylbutane-1,2-diamine
CID 114929489
(3R)-1-phenylhexan-3-amine
CID 66612996
1,4-diphenylbutan-2-amine
CID 60820174
1-N-methyl-4-phenyl-1-N-(2-propan-2-yloxyethyl)butane-1,2-diamine
CID 114929811
(2S)-1-N-methoxy-1-N-(2-methylpropyl)-4-phenylbutane-1,2-diamine
CID 112737317
1-N-methyl-4-phenyl-1-N-(thiophen-2-ylmethyl)butane-1,2-diamine
CID 114929524
1-N-[(3-bromophenyl)methyl]-1-N-methyl-4-phenylbutane-1,2-diamine
CID 114929581
4-phenyl-1-N-propyl-1-N-prop-2-ynylbutane-1,2-diamine
CID 114929822
2-amino-4-phenylbutan-1-ol
CID 159249603

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N-dimethyl-4-phenylbutane-1,2-diamine?
The IUPAC name of 1-N,1-N-dimethyl-4-phenylbutane-1,2-diamine (CID 69151806) is 1-N,1-N-dimethyl-4-phenylbutane-1,2-diamine.
What is the SMILES notation for 1-N,1-N-dimethyl-4-phenylbutane-1,2-diamine?
The canonical SMILES for 1-N,1-N-dimethyl-4-phenylbutane-1,2-diamine is CN(C)CC(N)CCc1ccccc1.
What is the InChIKey of 1-N,1-N-dimethyl-4-phenylbutane-1,2-diamine?
The InChIKey is IXMVOVJULRXOEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2/c1-14(2)10-12(13)9-8-11-6-4-3-5-7-11/h3-7,12H,8-10,13H2,1-2H3.
What are the key properties of 1-N,1-N-dimethyl-4-phenylbutane-1,2-diamine?
1-N,1-N-dimethyl-4-phenylbutane-1,2-diamine has a molecular weight of 192.31 g/mol, XLogP of 1.51, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N-dimethyl-4-phenylbutane-1,2-diamine is sourced from PubChem (CID 69151806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).