(2R)-1-[(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)amino]propan-2-ol

C15H23NO — CID 114266891

IUPAC(2R)-1-[(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)amino]propan-2-ol
SMILESC[C@@H](O)CNC1c2ccccc2CCC1(C)C
InChIInChI=1S/C15H23NO/c1-11(17)10-16-14-13-7-5-4-6-12(13)8-9-15(14,2)3/h4-7,11,14,16-17H,8-10H2,1-3H3/t11-,14?/m1/s1
InChIKeyDNFINOMQJUKEHO-YNODCEANSA-N
MW233.36 g/mol
LogP2.67
Rot. Bonds3

About (2R)-1-[(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)amino]propan-2-ol

(2R)-1-[(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)amino]propan-2-ol (PubChem CID 114266891) has the molecular formula C15H23NO and a molecular weight of 233.36 g/mol. Its IUPAC name is (2R)-1-[(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)amino]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)amino]propan-2-ol
PubChem CID114266891
Molecular FormulaC15H23NO
Molecular Weight233.36 g/mol
Exact Mass233.18
IUPAC Name(2R)-1-[(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)amino]propan-2-ol
SMILESC[C@@H](O)CNC1c2ccccc2CCC1(C)C
InChIInChI=1S/C15H23NO/c1-11(17)10-16-14-13-7-5-4-6-12(13)8-9-15(14,2)3/h4-7,11,14,16-17H,8-10H2,1-3H3/t11-,14?/m1/s1
InChIKeyDNFINOMQJUKEHO-YNODCEANSA-N
XLogP2.67
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2R)-1-[(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)amino]propan-2-ol with MolForge

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Related Compounds

4-[(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)amino]butan-2-ol
CID 113329803
3-[(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)amino]-2-methylpropanenitrile
CID 113329799
N-(2,2-dimethoxyethyl)-2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-amine
CID 115531971
2,2-dimethyl-N-(3-methylbutyl)-3,4-dihydro-1H-naphthalen-1-amine
CID 115531808
3-[(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)amino]propan-1-ol
CID 113329785
2,2-dimethyl-N-(2,2,2-trifluoroethyl)-3,4-dihydro-1H-naphthalen-1-amine
CID 113329778
3-[(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)amino]-2-methylpropane-1,2-diol
CID 115532149
5-[(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)amino]pentan-1-ol
CID 104577689
N'-(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)propane-1,3-diamine
CID 113329793
4-[[(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)amino]methyl]cyclohexan-1-ol
CID 106125002
1-N-(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 115531864
N-but-3-en-2-yl-2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-amine
CID 113480827

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)amino]propan-2-ol?
The IUPAC name of (2R)-1-[(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)amino]propan-2-ol (CID 114266891) is (2R)-1-[(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)amino]propan-2-ol.
What is the SMILES notation for (2R)-1-[(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)amino]propan-2-ol?
The canonical SMILES for (2R)-1-[(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)amino]propan-2-ol is C[C@@H](O)CNC1c2ccccc2CCC1(C)C.
What is the InChIKey of (2R)-1-[(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)amino]propan-2-ol?
The InChIKey is DNFINOMQJUKEHO-YNODCEANSA-N. The full InChI is InChI=1S/C15H23NO/c1-11(17)10-16-14-13-7-5-4-6-12(13)8-9-15(14,2)3/h4-7,11,14,16-17H,8-10H2,1-3H3/t11-,14?/m1/s1.
What are the key properties of (2R)-1-[(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)amino]propan-2-ol?
(2R)-1-[(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)amino]propan-2-ol has a molecular weight of 233.36 g/mol, XLogP of 2.67, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)amino]propan-2-ol is sourced from PubChem (CID 114266891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).