1-(diethylamino)-6-phenylhexan-3-ol

C16H27NO — CID 79086968

IUPAC1-(diethylamino)-6-phenylhexan-3-ol
SMILESCCN(CC)CCC(O)CCCc1ccccc1
InChIInChI=1S/C16H27NO/c1-3-17(4-2)14-13-16(18)12-8-11-15-9-6-5-7-10-15/h5-7,9-10,16,18H,3-4,8,11-14H2,1-2H3
InChIKeyYVTBYTMEQOKMQV-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.10
Rot. Bonds9

About 1-(diethylamino)-6-phenylhexan-3-ol

1-(diethylamino)-6-phenylhexan-3-ol (PubChem CID 79086968) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is 1-(diethylamino)-6-phenylhexan-3-ol.

Molecular Properties

Compound Name1-(diethylamino)-6-phenylhexan-3-ol
PubChem CID79086968
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name1-(diethylamino)-6-phenylhexan-3-ol
SMILESCCN(CC)CCC(O)CCCc1ccccc1
InChIInChI=1S/C16H27NO/c1-3-17(4-2)14-13-16(18)12-8-11-15-9-6-5-7-10-15/h5-7,9-10,16,18H,3-4,8,11-14H2,1-2H3
InChIKeyYVTBYTMEQOKMQV-UHFFFAOYSA-N
XLogP3.10
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N,1-N,3-N-triethyl-6-phenylhexane-1,3-diamine
CID 79086954
N,N-diethyl-3-phenylpropan-1-amine;hydrate
CID 172794416
azane;N,N-diethyl-3-phenylpropan-1-amine;hydroiodide
CID 175520694
1-(dimethylamino)-5-phenylpentan-2-ol
CID 79087865
N,N-diethyl-17-phenylheptadecan-1-amine;hydrochloride
CID 173450606
1-chloro-7-phenylheptan-4-ol
CID 54140253
N,N-diethyl-12-phenyldodecan-1-amine;hydrate
CID 173447962
N,N-diethyl-12-phenyldodecan-1-amine;hydrochloride
CID 173450518
1-phenylheptan-3-ol
CID 10420110
(2R)-5-phenylpentane-1,2-diol
CID 102483629
3-[ethyl(3-phenylpropyl)amino]-2-methylpropanoic acid
CID 62853866
2-[ethyl(4-phenylbutyl)amino]ethanol
CID 114334503

Frequently Asked Questions

What is the IUPAC name of 1-(diethylamino)-6-phenylhexan-3-ol?
The IUPAC name of 1-(diethylamino)-6-phenylhexan-3-ol (CID 79086968) is 1-(diethylamino)-6-phenylhexan-3-ol.
What is the SMILES notation for 1-(diethylamino)-6-phenylhexan-3-ol?
The canonical SMILES for 1-(diethylamino)-6-phenylhexan-3-ol is CCN(CC)CCC(O)CCCc1ccccc1.
What is the InChIKey of 1-(diethylamino)-6-phenylhexan-3-ol?
The InChIKey is YVTBYTMEQOKMQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-3-17(4-2)14-13-16(18)12-8-11-15-9-6-5-7-10-15/h5-7,9-10,16,18H,3-4,8,11-14H2,1-2H3.
What are the key properties of 1-(diethylamino)-6-phenylhexan-3-ol?
1-(diethylamino)-6-phenylhexan-3-ol has a molecular weight of 249.40 g/mol, XLogP of 3.10, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diethylamino)-6-phenylhexan-3-ol is sourced from PubChem (CID 79086968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).