2-[[3-(dimethylamino)-4-methylanilino]methyl]-2-methylpropane-1,3-diol

C14H24N2O2 — CID 113297783

IUPAC2-[[3-(dimethylamino)-4-methylanilino]methyl]-2-methylpropane-1,3-diol
SMILESCc1ccc(NCC(C)(CO)CO)cc1N(C)C
InChIInChI=1S/C14H24N2O2/c1-11-5-6-12(7-13(11)16(3)4)15-8-14(2,9-17)10-18/h5-7,15,17-18H,8-10H2,1-4H3
InChIKeyTYGSQUWZDISRNZ-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.46
Rot. Bonds6

About 2-[[3-(dimethylamino)-4-methylanilino]methyl]-2-methylpropane-1,3-diol

2-[[3-(dimethylamino)-4-methylanilino]methyl]-2-methylpropane-1,3-diol (PubChem CID 113297783) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 2-[[3-(dimethylamino)-4-methylanilino]methyl]-2-methylpropane-1,3-diol.

Molecular Properties

Compound Name2-[[3-(dimethylamino)-4-methylanilino]methyl]-2-methylpropane-1,3-diol
PubChem CID113297783
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name2-[[3-(dimethylamino)-4-methylanilino]methyl]-2-methylpropane-1,3-diol
SMILESCc1ccc(NCC(C)(CO)CO)cc1N(C)C
InChIInChI=1S/C14H24N2O2/c1-11-5-6-12(7-13(11)16(3)4)15-8-14(2,9-17)10-18/h5-7,15,17-18H,8-10H2,1-4H3
InChIKeyTYGSQUWZDISRNZ-UHFFFAOYSA-N
XLogP1.46
TPSA55.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[3-(dimethylamino)-4-methylanilino]methyl]phenol
CID 115377279
N-carbamoyl-2-[3-(dimethylamino)-4-methylanilino]acetamide
CID 113297775
1-N-(cyclopropylmethyl)-3-N,3-N,4-trimethylbenzene-1,3-diamine
CID 115376953
N-[3-(dimethylamino)-4-methylphenyl]-2,2-dimethylpropanamide
CID 115379519
1-N-[(E)-3-chloro-2-methylprop-2-enyl]-3-N,3-N,4-trimethylbenzene-1,3-diamine
CID 106437984
2-[3-(dimethylamino)-4-methylanilino]-N-(2-methylbutan-2-yl)acetamide
CID 115378141
[1-[[3-(dimethylamino)-4-methylanilino]methyl]cyclohexyl]methanol
CID 115377142
3-N,3-N,4-trimethyl-1-N-[(2-methylphenyl)methyl]benzene-1,3-diamine
CID 115376609
1-[3-(dimethylamino)-4-methylanilino]-3-methoxypropan-2-ol
CID 115378094
1-N-[(3,5-dichlorophenyl)methyl]-3-N,3-N,4-trimethylbenzene-1,3-diamine
CID 115376970
methyl 3-[3-(dimethylamino)-4-methylanilino]-2-methylpropanoate
CID 113297784
3-N,3-N,4-trimethyl-1-N-[3-(2,2,2-trifluoroethoxy)propyl]benzene-1,3-diamine
CID 115378143

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(dimethylamino)-4-methylanilino]methyl]-2-methylpropane-1,3-diol?
The IUPAC name of 2-[[3-(dimethylamino)-4-methylanilino]methyl]-2-methylpropane-1,3-diol (CID 113297783) is 2-[[3-(dimethylamino)-4-methylanilino]methyl]-2-methylpropane-1,3-diol.
What is the SMILES notation for 2-[[3-(dimethylamino)-4-methylanilino]methyl]-2-methylpropane-1,3-diol?
The canonical SMILES for 2-[[3-(dimethylamino)-4-methylanilino]methyl]-2-methylpropane-1,3-diol is Cc1ccc(NCC(C)(CO)CO)cc1N(C)C.
What is the InChIKey of 2-[[3-(dimethylamino)-4-methylanilino]methyl]-2-methylpropane-1,3-diol?
The InChIKey is TYGSQUWZDISRNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-11-5-6-12(7-13(11)16(3)4)15-8-14(2,9-17)10-18/h5-7,15,17-18H,8-10H2,1-4H3.
What are the key properties of 2-[[3-(dimethylamino)-4-methylanilino]methyl]-2-methylpropane-1,3-diol?
2-[[3-(dimethylamino)-4-methylanilino]methyl]-2-methylpropane-1,3-diol has a molecular weight of 252.36 g/mol, XLogP of 1.46, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(dimethylamino)-4-methylanilino]methyl]-2-methylpropane-1,3-diol is sourced from PubChem (CID 113297783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).