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

C18H25NO — CID 15595616

IUPAC4-(diethylamino)-2-naphthalen-1-ylbutan-1-ol
SMILESCCN(CC)CCC(CO)c1cccc2ccccc12
InChIInChI=1S/C18H25NO/c1-3-19(4-2)13-12-16(14-20)18-11-7-9-15-8-5-6-10-17(15)18/h5-11,16,20H,3-4,12-14H2,1-2H3
InChIKeyCYTIKAXSOPQQRY-UHFFFAOYSA-N
MW271.40 g/mol
LogP3.65
Rot. Bonds7

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

4-(diethylamino)-2-naphthalen-1-ylbutan-1-ol (PubChem CID 15595616) has the molecular formula C18H25NO and a molecular weight of 271.40 g/mol. Its IUPAC name is 4-(diethylamino)-2-naphthalen-1-ylbutan-1-ol.

Molecular Properties

Compound Name4-(diethylamino)-2-naphthalen-1-ylbutan-1-ol
PubChem CID15595616
Molecular FormulaC18H25NO
Molecular Weight271.40 g/mol
Exact Mass271.19
IUPAC Name4-(diethylamino)-2-naphthalen-1-ylbutan-1-ol
SMILESCCN(CC)CCC(CO)c1cccc2ccccc12
InChIInChI=1S/C18H25NO/c1-3-19(4-2)13-12-16(14-20)18-11-7-9-15-8-5-6-10-17(15)18/h5-11,16,20H,3-4,12-14H2,1-2H3
InChIKeyCYTIKAXSOPQQRY-UHFFFAOYSA-N
XLogP3.65
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 ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-naphthalen-1-ylhexan-1-ol
CID 57029231
4-(diethylamino)-1-naphthalen-1-ylbutan-2-ol
CID 79086780
N',N'-diethyl-N-(1-naphthalen-1-ylethyl)propane-1,3-diamine
CID 43102399
3-(diethylamino)-1-(2-fluorophenyl)propan-1-ol
CID 62643876
1-tetracosan-9-ylnaphthalene
CID 175897855
1-hexadecan-6-ylnaphthalene
CID 14029925
3-methyl-2-naphthalen-1-ylbut-3-en-1-ol
CID 10632339
1-decan-5-ylnaphthalene
CID 14029915
N',N'-diethyl-1-isoquinolin-5-ylpropane-1,3-diamine
CID 79086923
3,3,3-trideuterio-2-naphthalen-1-ylpropan-1-ol
CID 169444620
N,N-diethyl-2-naphthalen-1-ylpropanamide
CID 15100949
N,N-diethyl-3-hydrazinyl-3-isoquinolin-4-ylpropan-1-amine
CID 105244064

Frequently Asked Questions

What is the IUPAC name of 4-(diethylamino)-2-naphthalen-1-ylbutan-1-ol?
The IUPAC name of 4-(diethylamino)-2-naphthalen-1-ylbutan-1-ol (CID 15595616) is 4-(diethylamino)-2-naphthalen-1-ylbutan-1-ol.
What is the SMILES notation for 4-(diethylamino)-2-naphthalen-1-ylbutan-1-ol?
The canonical SMILES for 4-(diethylamino)-2-naphthalen-1-ylbutan-1-ol is CCN(CC)CCC(CO)c1cccc2ccccc12.
What is the InChIKey of 4-(diethylamino)-2-naphthalen-1-ylbutan-1-ol?
The InChIKey is CYTIKAXSOPQQRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO/c1-3-19(4-2)13-12-16(14-20)18-11-7-9-15-8-5-6-10-17(15)18/h5-11,16,20H,3-4,12-14H2,1-2H3.
What are the key properties of 4-(diethylamino)-2-naphthalen-1-ylbutan-1-ol?
4-(diethylamino)-2-naphthalen-1-ylbutan-1-ol has a molecular weight of 271.40 g/mol, XLogP of 3.65, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethylamino)-2-naphthalen-1-ylbutan-1-ol is sourced from PubChem (CID 15595616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).