3-[(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)amino]-2-methylpropane-1,2-diol

C16H25NO2 — CID 115532149

IUPAC3-[(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)amino]-2-methylpropane-1,2-diol
SMILESCC(O)(CO)CNC1c2ccccc2CCC1(C)C
InChIInChI=1S/C16H25NO2/c1-15(2)9-8-12-6-4-5-7-13(12)14(15)17-10-16(3,19)11-18/h4-7,14,17-19H,8-11H2,1-3H3
InChIKeyHWNFSGNPQLSZAK-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.03
Rot. Bonds4

About 3-[(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)amino]-2-methylpropane-1,2-diol

3-[(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)amino]-2-methylpropane-1,2-diol (PubChem CID 115532149) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 3-[(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)amino]-2-methylpropane-1,2-diol.

Molecular Properties

Compound Name3-[(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)amino]-2-methylpropane-1,2-diol
PubChem CID115532149
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name3-[(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)amino]-2-methylpropane-1,2-diol
SMILESCC(O)(CO)CNC1c2ccccc2CCC1(C)C
InChIInChI=1S/C16H25NO2/c1-15(2)9-8-12-6-4-5-7-13(12)14(15)17-10-16(3,19)11-18/h4-7,14,17-19H,8-11H2,1-3H3
InChIKeyHWNFSGNPQLSZAK-UHFFFAOYSA-N
XLogP2.03
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-[(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)amino]-2-methylpropane-1,2-diol with MolForge

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Related Compounds

2,2-dimethyl-N-(2,2,2-trifluoroethyl)-3,4-dihydro-1H-naphthalen-1-amine
CID 113329778
1-N-(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 115531864
3-[(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)amino]propan-1-ol
CID 113329785
5-[(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)amino]pentan-1-ol
CID 104577689
(2R)-1-[(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)amino]propan-2-ol
CID 114266891
N-(2,2-dimethoxyethyl)-2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-amine
CID 115531971
4-[(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)amino]butan-2-ol
CID 113329803
2,2-dimethyl-N-(3-methylbutyl)-3,4-dihydro-1H-naphthalen-1-amine
CID 115531808
N'-(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)propane-1,3-diamine
CID 113329793
2,2-dimethyl-N-(4,4,4-trifluorobutyl)-3,4-dihydro-1H-naphthalen-1-amine
CID 115532219
4-[[(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)amino]methyl]cyclohexan-1-ol
CID 106125002
2-[(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)amino]-2-methylpropanamide
CID 115532003

Frequently Asked Questions

What is the IUPAC name of 3-[(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)amino]-2-methylpropane-1,2-diol?
The IUPAC name of 3-[(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)amino]-2-methylpropane-1,2-diol (CID 115532149) is 3-[(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)amino]-2-methylpropane-1,2-diol.
What is the SMILES notation for 3-[(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)amino]-2-methylpropane-1,2-diol?
The canonical SMILES for 3-[(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)amino]-2-methylpropane-1,2-diol is CC(O)(CO)CNC1c2ccccc2CCC1(C)C.
What is the InChIKey of 3-[(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)amino]-2-methylpropane-1,2-diol?
The InChIKey is HWNFSGNPQLSZAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-15(2)9-8-12-6-4-5-7-13(12)14(15)17-10-16(3,19)11-18/h4-7,14,17-19H,8-11H2,1-3H3.
What are the key properties of 3-[(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)amino]-2-methylpropane-1,2-diol?
3-[(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)amino]-2-methylpropane-1,2-diol has a molecular weight of 263.38 g/mol, XLogP of 2.03, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)amino]-2-methylpropane-1,2-diol is sourced from PubChem (CID 115532149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).