4-(diethylamino)-1-naphthalen-1-ylbutan-2-ol

C18H25NO — CID 79086780

IUPAC4-(diethylamino)-1-naphthalen-1-ylbutan-2-ol
SMILESCCN(CC)CCC(O)Cc1cccc2ccccc12
InChIInChI=1S/C18H25NO/c1-3-19(4-2)13-12-17(20)14-16-10-7-9-15-8-5-6-11-18(15)16/h5-11,17,20H,3-4,12-14H2,1-2H3
InChIKeyNOTRMQJHEXFTRL-UHFFFAOYSA-N
MW271.40 g/mol
LogP3.48
Rot. Bonds7

About 4-(diethylamino)-1-naphthalen-1-ylbutan-2-ol

4-(diethylamino)-1-naphthalen-1-ylbutan-2-ol (PubChem CID 79086780) has the molecular formula C18H25NO and a molecular weight of 271.40 g/mol. Its IUPAC name is 4-(diethylamino)-1-naphthalen-1-ylbutan-2-ol.

Molecular Properties

Compound Name4-(diethylamino)-1-naphthalen-1-ylbutan-2-ol
PubChem CID79086780
Molecular FormulaC18H25NO
Molecular Weight271.40 g/mol
Exact Mass271.19
IUPAC Name4-(diethylamino)-1-naphthalen-1-ylbutan-2-ol
SMILESCCN(CC)CCC(O)Cc1cccc2ccccc12
InChIInChI=1S/C18H25NO/c1-3-19(4-2)13-12-17(20)14-16-10-7-9-15-8-5-6-11-18(15)16/h5-11,17,20H,3-4,12-14H2,1-2H3
InChIKeyNOTRMQJHEXFTRL-UHFFFAOYSA-N
XLogP3.48
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(diethylamino)-1-quinolin-4-ylbutan-2-ol
CID 79087937
5-(dimethylamino)-1-naphthalen-1-ylpentan-2-ol
CID 70057285
1-naphthalen-1-ylnonan-2-ol
CID 19902465
5,5-dimethyl-1-naphthalen-1-ylhexan-2-ol
CID 105091563
1-(2-chloro-3-fluorophenyl)-4-(diethylamino)butan-2-ol
CID 112653492
6-methyl-1-naphthalen-1-ylheptan-2-ol
CID 105122822
1-(dimethylamino)-3-naphthalen-1-ylpropan-2-ol
CID 79088048
4-(diethylamino)-1-(2,6-difluorophenyl)butan-2-ol
CID 114931570
N,N-diethyl-16-naphthalen-1-ylhexadecan-1-amine
CID 70613686
4-(diethylamino)-2-naphthalen-1-ylbutan-1-ol
CID 15595616
1-naphthalen-1-ylpentan-3-ol
CID 2793924
N,N-diethyl-16-naphthalen-1-ylhexadecan-1-amine;hydrochloride
CID 174059357

Frequently Asked Questions

What is the IUPAC name of 4-(diethylamino)-1-naphthalen-1-ylbutan-2-ol?
The IUPAC name of 4-(diethylamino)-1-naphthalen-1-ylbutan-2-ol (CID 79086780) is 4-(diethylamino)-1-naphthalen-1-ylbutan-2-ol.
What is the SMILES notation for 4-(diethylamino)-1-naphthalen-1-ylbutan-2-ol?
The canonical SMILES for 4-(diethylamino)-1-naphthalen-1-ylbutan-2-ol is CCN(CC)CCC(O)Cc1cccc2ccccc12.
What is the InChIKey of 4-(diethylamino)-1-naphthalen-1-ylbutan-2-ol?
The InChIKey is NOTRMQJHEXFTRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO/c1-3-19(4-2)13-12-17(20)14-16-10-7-9-15-8-5-6-11-18(15)16/h5-11,17,20H,3-4,12-14H2,1-2H3.
What are the key properties of 4-(diethylamino)-1-naphthalen-1-ylbutan-2-ol?
4-(diethylamino)-1-naphthalen-1-ylbutan-2-ol has a molecular weight of 271.40 g/mol, XLogP of 3.48, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethylamino)-1-naphthalen-1-ylbutan-2-ol is sourced from PubChem (CID 79086780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).