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

C16H25NO — CID 113329803

IUPAC4-[(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)amino]butan-2-ol
SMILESCC(O)CCNC1c2ccccc2CCC1(C)C
InChIInChI=1S/C16H25NO/c1-12(18)9-11-17-15-14-7-5-4-6-13(14)8-10-16(15,2)3/h4-7,12,15,17-18H,8-11H2,1-3H3
InChIKeyPZNIHHPVWUCMGV-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.06
Rot. Bonds4

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

4-[(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)amino]butan-2-ol (PubChem CID 113329803) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 4-[(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)amino]butan-2-ol.

Molecular Properties

Compound Name4-[(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)amino]butan-2-ol
PubChem CID113329803
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name4-[(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)amino]butan-2-ol
SMILESCC(O)CCNC1c2ccccc2CCC1(C)C
InChIInChI=1S/C16H25NO/c1-12(18)9-11-17-15-14-7-5-4-6-13(14)8-10-16(15,2)3/h4-7,12,15,17-18H,8-11H2,1-3H3
InChIKeyPZNIHHPVWUCMGV-UHFFFAOYSA-N
XLogP3.06
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

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Related Compounds

2,2-dimethyl-N-(3-methylbutyl)-3,4-dihydro-1H-naphthalen-1-amine
CID 115531808
(2R)-1-[(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)amino]propan-2-ol
CID 114266891
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
N'-(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)propane-1,3-diamine
CID 113329793
3-[(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)amino]-2-methylpropanenitrile
CID 113329799
2,2-dimethyl-N-(4,4,4-trifluorobutyl)-3,4-dihydro-1H-naphthalen-1-amine
CID 115532219
2,2-dimethyl-N-(2,2,2-trifluoroethyl)-3,4-dihydro-1H-naphthalen-1-amine
CID 113329778
N-(2,2-dimethoxyethyl)-2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-amine
CID 115531971
3-[(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)amino]-2-methylpropane-1,2-diol
CID 115532149
2,2-dimethyl-N-(2-morpholin-4-ylethyl)-3,4-dihydro-1H-naphthalen-1-amine
CID 115531836
4-[[(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)amino]methyl]cyclohexan-1-ol
CID 106125002

Frequently Asked Questions

What is the IUPAC name of 4-[(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)amino]butan-2-ol?
The IUPAC name of 4-[(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)amino]butan-2-ol (CID 113329803) is 4-[(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)amino]butan-2-ol.
What is the SMILES notation for 4-[(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)amino]butan-2-ol?
The canonical SMILES for 4-[(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)amino]butan-2-ol is CC(O)CCNC1c2ccccc2CCC1(C)C.
What is the InChIKey of 4-[(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)amino]butan-2-ol?
The InChIKey is PZNIHHPVWUCMGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-12(18)9-11-17-15-14-7-5-4-6-13(14)8-10-16(15,2)3/h4-7,12,15,17-18H,8-11H2,1-3H3.
What are the key properties of 4-[(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)amino]butan-2-ol?
4-[(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)amino]butan-2-ol has a molecular weight of 247.38 g/mol, XLogP of 3.06, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl)amino]butan-2-ol is sourced from PubChem (CID 113329803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).