6-(dimethylamino)-1,4-diphenylheptan-4-ol

C21H29NO — CID 20976611

IUPAC6-(dimethylamino)-1,4-diphenylheptan-4-ol
SMILESCC(CC(O)(CCCc1ccccc1)c1ccccc1)N(C)C
InChIInChI=1S/C21H29NO/c1-18(22(2)3)17-21(23,20-14-8-5-9-15-20)16-10-13-19-11-6-4-7-12-19/h4-9,11-12,14-15,18,23H,10,13,16-17H2,1-3H3
InChIKeyTZMYGROXESYXTG-UHFFFAOYSA-N
MW311.47 g/mol
LogP4.24
Rot. Bonds8

About 6-(dimethylamino)-1,4-diphenylheptan-4-ol

6-(dimethylamino)-1,4-diphenylheptan-4-ol (PubChem CID 20976611) has the molecular formula C21H29NO and a molecular weight of 311.47 g/mol. Its IUPAC name is 6-(dimethylamino)-1,4-diphenylheptan-4-ol.

Molecular Properties

Compound Name6-(dimethylamino)-1,4-diphenylheptan-4-ol
PubChem CID20976611
Molecular FormulaC21H29NO
Molecular Weight311.47 g/mol
Exact Mass311.22
IUPAC Name6-(dimethylamino)-1,4-diphenylheptan-4-ol
SMILESCC(CC(O)(CCCc1ccccc1)c1ccccc1)N(C)C
InChIInChI=1S/C21H29NO/c1-18(22(2)3)17-21(23,20-14-8-5-9-15-20)16-10-13-19-11-6-4-7-12-19/h4-9,11-12,14-15,18,23H,10,13,16-17H2,1-3H3
InChIKeyTZMYGROXESYXTG-UHFFFAOYSA-N
XLogP4.24
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.47
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-(dimethylamino)-1,4-diphenylheptan-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N-dimethyl-5-phenylpentan-2-amine
CID 12951765
3-ethyl-2-methyl-6-phenylhexan-3-ol
CID 65146545
N,N,4-trimethyl-4-phenylpentan-2-amine
CID 142069190
1,2-diphenylheptan-2-ol
CID 139785734
4-methyl-1-phenylheptan-4-ol
CID 67874665
1,5-diphenylpentane-1,1-diol
CID 67670316
N,N,2-trimethyl-5-phenylpentan-2-amine
CID 13178252
(4R)-4-(dimethylamino)-2,2-diphenylpentanamide
CID 51382597
(3S,6R)-6-(dimethylamino)-4,4-diphenylheptan-3-ol;hydrochloride
CID 21127624
5-phenylundecan-5-ol
CID 175525363
5-phenyltetradecan-5-ol
CID 175223116
(2R)-2-ethyl-2-hydroxy-5-phenylpentanoic acid
CID 70212067

Frequently Asked Questions

What is the IUPAC name of 6-(dimethylamino)-1,4-diphenylheptan-4-ol?
The IUPAC name of 6-(dimethylamino)-1,4-diphenylheptan-4-ol (CID 20976611) is 6-(dimethylamino)-1,4-diphenylheptan-4-ol.
What is the SMILES notation for 6-(dimethylamino)-1,4-diphenylheptan-4-ol?
The canonical SMILES for 6-(dimethylamino)-1,4-diphenylheptan-4-ol is CC(CC(O)(CCCc1ccccc1)c1ccccc1)N(C)C.
What is the InChIKey of 6-(dimethylamino)-1,4-diphenylheptan-4-ol?
The InChIKey is TZMYGROXESYXTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29NO/c1-18(22(2)3)17-21(23,20-14-8-5-9-15-20)16-10-13-19-11-6-4-7-12-19/h4-9,11-12,14-15,18,23H,10,13,16-17H2,1-3H3.
What are the key properties of 6-(dimethylamino)-1,4-diphenylheptan-4-ol?
6-(dimethylamino)-1,4-diphenylheptan-4-ol has a molecular weight of 311.47 g/mol, XLogP of 4.24, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(dimethylamino)-1,4-diphenylheptan-4-ol is sourced from PubChem (CID 20976611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).