N',N',2-trimethyl-1-phenylpropane-1,3-diamine

C12H20N2 — CID 62618546

IUPACN',N',2-trimethyl-1-phenylpropane-1,3-diamine
SMILESCC(CN(C)C)C(N)c1ccccc1
InChIInChI=1S/C12H20N2/c1-10(9-14(2)3)12(13)11-7-5-4-6-8-11/h4-8,10,12H,9,13H2,1-3H3
InChIKeyYSAZLRHMUWIYBU-UHFFFAOYSA-N
MW192.31 g/mol
LogP1.88
Rot. Bonds4

About N',N',2-trimethyl-1-phenylpropane-1,3-diamine

N',N',2-trimethyl-1-phenylpropane-1,3-diamine (PubChem CID 62618546) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is N',N',2-trimethyl-1-phenylpropane-1,3-diamine.

Molecular Properties

Compound NameN',N',2-trimethyl-1-phenylpropane-1,3-diamine
PubChem CID62618546
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC NameN',N',2-trimethyl-1-phenylpropane-1,3-diamine
SMILESCC(CN(C)C)C(N)c1ccccc1
InChIInChI=1S/C12H20N2/c1-10(9-14(2)3)12(13)11-7-5-4-6-8-11/h4-8,10,12H,9,13H2,1-3H3
InChIKeyYSAZLRHMUWIYBU-UHFFFAOYSA-N
XLogP1.88
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-(3,3-dimethylbutan-2-yl)-N',2-dimethyl-1-phenylpropane-1,3-diamine
CID 62617394
2-[(3-amino-2-methyl-3-phenylpropyl)-(2-hydroxyethyl)amino]ethanol
CID 62619271
N'-cyclopentyl-N',2-dimethyl-1-phenylpropane-1,3-diamine
CID 62618384
N'-ethyl-2-methyl-N'-(2-methylpropyl)-1-phenylpropane-1,3-diamine
CID 62618547
N'-butan-2-yl-N'-ethyl-2-methyl-1-phenylpropane-1,3-diamine
CID 62617195
N'-(4-ethylphenyl)-N',2-dimethyl-1-phenylpropane-1,3-diamine
CID 62619815
2-methyl-1-phenyl-N',N'-bis(prop-2-enyl)propane-1,3-diamine
CID 62619076
2,6-dimethyl-1-phenylheptan-1-amine
CID 104845216
(2R)-N,N-dimethyl-2-phenylpropan-1-amine
CID 59474206
N,N',N',2-tetramethyl-1-phenylpropane-1,3-diamine
CID 62618717
N'-ethyl-N'-(1-methoxypropan-2-yl)-2-methyl-1-phenylpropane-1,3-diamine
CID 62618075
N'-methyl-N'-(2-methylpropyl)-1,2-diphenylethane-1,2-diamine
CID 43272040

Frequently Asked Questions

What is the IUPAC name of N',N',2-trimethyl-1-phenylpropane-1,3-diamine?
The IUPAC name of N',N',2-trimethyl-1-phenylpropane-1,3-diamine (CID 62618546) is N',N',2-trimethyl-1-phenylpropane-1,3-diamine.
What is the SMILES notation for N',N',2-trimethyl-1-phenylpropane-1,3-diamine?
The canonical SMILES for N',N',2-trimethyl-1-phenylpropane-1,3-diamine is CC(CN(C)C)C(N)c1ccccc1.
What is the InChIKey of N',N',2-trimethyl-1-phenylpropane-1,3-diamine?
The InChIKey is YSAZLRHMUWIYBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2/c1-10(9-14(2)3)12(13)11-7-5-4-6-8-11/h4-8,10,12H,9,13H2,1-3H3.
What are the key properties of N',N',2-trimethyl-1-phenylpropane-1,3-diamine?
N',N',2-trimethyl-1-phenylpropane-1,3-diamine has a molecular weight of 192.31 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N',N',2-trimethyl-1-phenylpropane-1,3-diamine is sourced from PubChem (CID 62618546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).