1,1-diphenylhexan-2-amine;hydrate

C18H25NO — CID 173442178

IUPAC1,1-diphenylhexan-2-amine;hydrate
SMILESCCCCC(N)C(c1ccccc1)c1ccccc1.O
InChIInChI=1S/C18H23N.H2O/c1-2-3-14-17(19)18(15-10-6-4-7-11-15)16-12-8-5-9-13-16;/h4-13,17-18H,2-3,14,19H2,1H3;1H2
InChIKeyIUPKJLDFZDPMFI-UHFFFAOYSA-N
MW271.40 g/mol
LogP3.51
Rot. Bonds6

About 1,1-diphenylhexan-2-amine;hydrate

1,1-diphenylhexan-2-amine;hydrate (PubChem CID 173442178) has the molecular formula C18H25NO and a molecular weight of 271.40 g/mol. Its IUPAC name is 1,1-diphenylhexan-2-amine;hydrate.

Molecular Properties

Compound Name1,1-diphenylhexan-2-amine;hydrate
PubChem CID173442178
Molecular FormulaC18H25NO
Molecular Weight271.40 g/mol
Exact Mass271.19
IUPAC Name1,1-diphenylhexan-2-amine;hydrate
SMILESCCCCC(N)C(c1ccccc1)c1ccccc1.O
InChIInChI=1S/C18H23N.H2O/c1-2-3-14-17(19)18(15-10-6-4-7-11-15)16-12-8-5-9-13-16;/h4-13,17-18H,2-3,14,19H2,1H3;1H2
InChIKeyIUPKJLDFZDPMFI-UHFFFAOYSA-N
XLogP3.51
TPSA57.52 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1,1-diphenylhexan-2-amine;hydrate 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

1,1-diphenylheptan-2-amine;hydrate
CID 173442268
1,1-diphenylnonan-2-amine;hydrate
CID 173441575
1,1-diphenylnonadecan-2-amine;hydrate
CID 173441506
(2S,3R)-2-phenylheptan-3-amine
CID 11252501
1-(4-fluorophenyl)-1-phenylpentan-2-amine
CID 83047108
2-methyl-1,1-diphenylhexan-3-amine
CID 83047736
4-methyl-1,1-diphenylheptan-2-amine
CID 63412141
2-methyl-6,6-diphenylhexane-1,5-diamine
CID 174986807
2-amino-1-phenyloctan-1-ol;hydrochloride
CID 138400765
10-phenyltetradecan-5-ylbenzene
CID 22891787
(1S)-1-phenylpentan-1-ol
CID 6992754
1-phenylhexan-1-amine;hydrochloride
CID 3033249

Frequently Asked Questions

What is the IUPAC name of 1,1-diphenylhexan-2-amine;hydrate?
The IUPAC name of 1,1-diphenylhexan-2-amine;hydrate (CID 173442178) is 1,1-diphenylhexan-2-amine;hydrate.
What is the SMILES notation for 1,1-diphenylhexan-2-amine;hydrate?
The canonical SMILES for 1,1-diphenylhexan-2-amine;hydrate is CCCCC(N)C(c1ccccc1)c1ccccc1.O.
What is the InChIKey of 1,1-diphenylhexan-2-amine;hydrate?
The InChIKey is IUPKJLDFZDPMFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N.H2O/c1-2-3-14-17(19)18(15-10-6-4-7-11-15)16-12-8-5-9-13-16;/h4-13,17-18H,2-3,14,19H2,1H3;1H2.
What are the key properties of 1,1-diphenylhexan-2-amine;hydrate?
1,1-diphenylhexan-2-amine;hydrate has a molecular weight of 271.40 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diphenylhexan-2-amine;hydrate is sourced from PubChem (CID 173442178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).