1-amino-4,4-dimethyl-2-naphthalen-2-ylhexan-3-ol

C18H25NO — CID 69330267

IUPAC1-amino-4,4-dimethyl-2-naphthalen-2-ylhexan-3-ol
SMILESCCC(C)(C)C(O)C(CN)c1ccc2ccccc2c1
InChIInChI=1S/C18H25NO/c1-4-18(2,3)17(20)16(12-19)15-10-9-13-7-5-6-8-14(13)11-15/h5-11,16-17,20H,4,12,19H2,1-3H3
InChIKeyMWEYYJHRPKEEMD-UHFFFAOYSA-N
MW271.40 g/mol
LogP3.68
Rot. Bonds5

About 1-amino-4,4-dimethyl-2-naphthalen-2-ylhexan-3-ol

1-amino-4,4-dimethyl-2-naphthalen-2-ylhexan-3-ol (PubChem CID 69330267) has the molecular formula C18H25NO and a molecular weight of 271.40 g/mol. Its IUPAC name is 1-amino-4,4-dimethyl-2-naphthalen-2-ylhexan-3-ol.

Molecular Properties

Compound Name1-amino-4,4-dimethyl-2-naphthalen-2-ylhexan-3-ol
PubChem CID69330267
Molecular FormulaC18H25NO
Molecular Weight271.40 g/mol
Exact Mass271.19
IUPAC Name1-amino-4,4-dimethyl-2-naphthalen-2-ylhexan-3-ol
SMILESCCC(C)(C)C(O)C(CN)c1ccc2ccccc2c1
InChIInChI=1S/C18H25NO/c1-4-18(2,3)17(20)16(12-19)15-10-9-13-7-5-6-8-14(13)11-15/h5-11,16-17,20H,4,12,19H2,1-3H3
InChIKeyMWEYYJHRPKEEMD-UHFFFAOYSA-N
XLogP3.68
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-amino-2-(3,4-dimethylphenyl)-4,4-dimethylhexan-3-ol
CID 65189920
1-amino-4,4-dimethyl-2-[3-(trifluoromethyl)phenyl]hexan-3-ol
CID 65190191
(2R)-3-methyl-2-naphthalen-2-ylbutan-1-amine
CID 121454680
1-amino-4,4-dimethyl-2-[4-(2-methylpropoxy)phenyl]hexan-3-ol
CID 65189512
1-amino-2-(3,5-difluorophenyl)-4,4-dimethylhexan-3-ol
CID 65189332
(2S,3R)-4,4-dimethyl-1-(methylamino)-2-naphthalen-2-ylpentan-3-ol
CID 20631914
(1R,2R)-3-amino-1-(6-chloro-3-pyridinyl)-2-naphthalen-2-ylpropan-1-ol
CID 118675733
2-(dimethylamino)-2-ethyl-1-naphthalen-2-ylbutan-1-ol
CID 79061565
3-amino-2-naphthalen-2-yl-1-pyridin-4-ylpropan-1-ol;hydrochloride
CID 118675600
2-ethoxy-2-naphthalen-2-ylethanamine
CID 53276132
2,2-dimethyl-1-naphthalen-2-yl-N-propylbutan-1-amine
CID 115851112
ethane;1-naphthalen-2-ylpropan-1-ol
CID 143858826

Frequently Asked Questions

What is the IUPAC name of 1-amino-4,4-dimethyl-2-naphthalen-2-ylhexan-3-ol?
The IUPAC name of 1-amino-4,4-dimethyl-2-naphthalen-2-ylhexan-3-ol (CID 69330267) is 1-amino-4,4-dimethyl-2-naphthalen-2-ylhexan-3-ol.
What is the SMILES notation for 1-amino-4,4-dimethyl-2-naphthalen-2-ylhexan-3-ol?
The canonical SMILES for 1-amino-4,4-dimethyl-2-naphthalen-2-ylhexan-3-ol is CCC(C)(C)C(O)C(CN)c1ccc2ccccc2c1.
What is the InChIKey of 1-amino-4,4-dimethyl-2-naphthalen-2-ylhexan-3-ol?
The InChIKey is MWEYYJHRPKEEMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO/c1-4-18(2,3)17(20)16(12-19)15-10-9-13-7-5-6-8-14(13)11-15/h5-11,16-17,20H,4,12,19H2,1-3H3.
What are the key properties of 1-amino-4,4-dimethyl-2-naphthalen-2-ylhexan-3-ol?
1-amino-4,4-dimethyl-2-naphthalen-2-ylhexan-3-ol has a molecular weight of 271.40 g/mol, XLogP of 3.68, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-4,4-dimethyl-2-naphthalen-2-ylhexan-3-ol is sourced from PubChem (CID 69330267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).