1-(2,5-dimethylphenyl)butane-1,3-diamine

C12H20N2 — CID 116933200

IUPAC1-(2,5-dimethylphenyl)butane-1,3-diamine
SMILESCc1ccc(C)c(C(N)CC(C)N)c1
InChIInChI=1S/C12H20N2/c1-8-4-5-9(2)11(6-8)12(14)7-10(3)13/h4-6,10,12H,7,13-14H2,1-3H3
InChIKeyFFKIZNLYRMXINE-UHFFFAOYSA-N
MW192.31 g/mol
LogP2.04
Rot. Bonds3

About 1-(2,5-dimethylphenyl)butane-1,3-diamine

1-(2,5-dimethylphenyl)butane-1,3-diamine (PubChem CID 116933200) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)butane-1,3-diamine.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)butane-1,3-diamine
PubChem CID116933200
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name1-(2,5-dimethylphenyl)butane-1,3-diamine
SMILESCc1ccc(C)c(C(N)CC(C)N)c1
InChIInChI=1S/C12H20N2/c1-8-4-5-9(2)11(6-8)12(14)7-10(3)13/h4-6,10,12H,7,13-14H2,1-3H3
InChIKeyFFKIZNLYRMXINE-UHFFFAOYSA-N
XLogP2.04
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-4-(2,5-dimethylphenyl)-2-methylbutanoic acid
CID 116938367
1-(2,5-dimethylphenyl)-4-methylpentan-1-amine
CID 43100717
2-chloro-1-(2,5-dimethylphenyl)ethanamine
CID 116937497
1-(2,5-dimethylphenyl)propane-1,3-diamine
CID 116932732
1-(2,5-dimethylphenyl)ethanamine
CID 4991344
(4R)-4-amino-4-(2,5-dimethylphenyl)butan-1-ol
CID 55265559
1-(2,5-dimethylphenyl)-2-propan-2-ylsulfonylethanamine
CID 64676399
4-(2,4-dimethylphenyl)pentan-2-amine
CID 64721851
1-(2,5-dimethylphenyl)-2-(2-methylbutylsulfonyl)ethanamine
CID 107759819
1-(2,5-dimethylphenyl)-2-(2-methylpropylsulfonyl)ethanamine
CID 64646620
N'-butan-2-yl-1-(2,5-dimethylphenyl)-N'-methylethane-1,2-diamine
CID 43272877
3-methyl-1-(2-methyl-5-propan-2-ylphenyl)butan-1-amine
CID 82493939

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)butane-1,3-diamine?
The IUPAC name of 1-(2,5-dimethylphenyl)butane-1,3-diamine (CID 116933200) is 1-(2,5-dimethylphenyl)butane-1,3-diamine.
What is the SMILES notation for 1-(2,5-dimethylphenyl)butane-1,3-diamine?
The canonical SMILES for 1-(2,5-dimethylphenyl)butane-1,3-diamine is Cc1ccc(C)c(C(N)CC(C)N)c1.
What is the InChIKey of 1-(2,5-dimethylphenyl)butane-1,3-diamine?
The InChIKey is FFKIZNLYRMXINE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2/c1-8-4-5-9(2)11(6-8)12(14)7-10(3)13/h4-6,10,12H,7,13-14H2,1-3H3.
What are the key properties of 1-(2,5-dimethylphenyl)butane-1,3-diamine?
1-(2,5-dimethylphenyl)butane-1,3-diamine has a molecular weight of 192.31 g/mol, XLogP of 2.04, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)butane-1,3-diamine is sourced from PubChem (CID 116933200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).