2-(dimethylamino)-2-naphthalen-1-ylbutan-1-ol

C16H21NO — CID 10847834

IUPAC2-(dimethylamino)-2-naphthalen-1-ylbutan-1-ol
SMILESCCC(CO)(c1cccc2ccccc12)N(C)C
InChIInChI=1S/C16H21NO/c1-4-16(12-18,17(2)3)15-11-7-9-13-8-5-6-10-14(13)15/h5-11,18H,4,12H2,1-3H3
InChIKeyZBGOBGZWHFJBMY-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.00
Rot. Bonds4

About 2-(dimethylamino)-2-naphthalen-1-ylbutan-1-ol

2-(dimethylamino)-2-naphthalen-1-ylbutan-1-ol (PubChem CID 10847834) has the molecular formula C16H21NO and a molecular weight of 243.35 g/mol. Its IUPAC name is 2-(dimethylamino)-2-naphthalen-1-ylbutan-1-ol.

Molecular Properties

Compound Name2-(dimethylamino)-2-naphthalen-1-ylbutan-1-ol
PubChem CID10847834
Molecular FormulaC16H21NO
Molecular Weight243.35 g/mol
Exact Mass243.16
IUPAC Name2-(dimethylamino)-2-naphthalen-1-ylbutan-1-ol
SMILESCCC(CO)(c1cccc2ccccc12)N(C)C
InChIInChI=1S/C16H21NO/c1-4-16(12-18,17(2)3)15-11-7-9-13-8-5-6-10-14(13)15/h5-11,18H,4,12H2,1-3H3
InChIKeyZBGOBGZWHFJBMY-UHFFFAOYSA-N
XLogP3.00
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(dimethylamino)-2-phenylbutan-1-ol
CID 3016037
2,2-difluoro-2-naphthalen-1-ylethanol
CID 116841204
1-(1,1-dinaphthalen-1-ylethyl)naphthalene
CID 91541516
4-naphthalen-1-ylheptan-4-ol
CID 114866255
2-methyl-2-naphthalen-1-ylbutanoyl chloride
CID 117047849
2,3-dimethyl-3-naphthalen-1-ylbutan-2-ol
CID 140553457
1-(1,1,1-trifluoro-2-methylbutan-2-yl)naphthalene
CID 118544454
(2S)-2-ethyl-N',N'-dimethyl-2-naphthalen-1-ylbutane-1,4-diamine
CID 125479768
(2R)-N'-ethyl-N'-methyl-2-naphthalen-1-yl-2-propan-2-ylbutane-1,4-diamine
CID 125480014
1-(trichloromethyl)naphthalene
CID 12791328
1,1,4,4-tetranaphthalen-1-ylbutane-1,2,3,4-tetrol
CID 23002853
3-methyl-2-naphthalen-1-ylbutan-2-ol
CID 11830817

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-2-naphthalen-1-ylbutan-1-ol?
The IUPAC name of 2-(dimethylamino)-2-naphthalen-1-ylbutan-1-ol (CID 10847834) is 2-(dimethylamino)-2-naphthalen-1-ylbutan-1-ol.
What is the SMILES notation for 2-(dimethylamino)-2-naphthalen-1-ylbutan-1-ol?
The canonical SMILES for 2-(dimethylamino)-2-naphthalen-1-ylbutan-1-ol is CCC(CO)(c1cccc2ccccc12)N(C)C.
What is the InChIKey of 2-(dimethylamino)-2-naphthalen-1-ylbutan-1-ol?
The InChIKey is ZBGOBGZWHFJBMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO/c1-4-16(12-18,17(2)3)15-11-7-9-13-8-5-6-10-14(13)15/h5-11,18H,4,12H2,1-3H3.
What are the key properties of 2-(dimethylamino)-2-naphthalen-1-ylbutan-1-ol?
2-(dimethylamino)-2-naphthalen-1-ylbutan-1-ol has a molecular weight of 243.35 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-2-naphthalen-1-ylbutan-1-ol is sourced from PubChem (CID 10847834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).