3-benzyl-5-butoxy-1-phenylpentane-2,2-diamine

C22H32N2O — CID 175956431

IUPAC3-benzyl-5-butoxy-1-phenylpentane-2,2-diamine
SMILESCCCCOCCC(Cc1ccccc1)C(N)(N)Cc1ccccc1
InChIInChI=1S/C22H32N2O/c1-2-3-15-25-16-14-21(17-19-10-6-4-7-11-19)22(23,24)18-20-12-8-5-9-13-20/h4-13,21H,2-3,14-18,23-24H2,1H3
InChIKeyDOXFMDPDSSWQFG-UHFFFAOYSA-N
MW340.51 g/mol
LogP3.91
Rot. Bonds11

About 3-benzyl-5-butoxy-1-phenylpentane-2,2-diamine

3-benzyl-5-butoxy-1-phenylpentane-2,2-diamine (PubChem CID 175956431) has the molecular formula C22H32N2O and a molecular weight of 340.51 g/mol. Its IUPAC name is 3-benzyl-5-butoxy-1-phenylpentane-2,2-diamine.

Molecular Properties

Compound Name3-benzyl-5-butoxy-1-phenylpentane-2,2-diamine
PubChem CID175956431
Molecular FormulaC22H32N2O
Molecular Weight340.51 g/mol
Exact Mass340.25
IUPAC Name3-benzyl-5-butoxy-1-phenylpentane-2,2-diamine
SMILESCCCCOCCC(Cc1ccccc1)C(N)(N)Cc1ccccc1
InChIInChI=1S/C22H32N2O/c1-2-3-15-25-16-14-21(17-19-10-6-4-7-11-19)22(23,24)18-20-12-8-5-9-13-20/h4-13,21H,2-3,14-18,23-24H2,1H3
InChIKeyDOXFMDPDSSWQFG-UHFFFAOYSA-N
XLogP3.91
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.51
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 3-benzyl-5-butoxy-1-phenylpentane-2,2-diamine 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

2,3-dibenzyl-1-phenylnonan-2-amine;hydrochloride
CID 173158521
[5-(2-butoxyethoxy)-3-[2-(2-butoxyethoxy)ethyl]-2-phenylpentan-2-yl]benzene
CID 173364305
3-benzyl-2-methylheptan-2-amine;hydrochloride
CID 173427146
2,3-dibenzyl-1-phenylhexan-2-amine;hydroiodide
CID 173157634
3-benzyl-2-methyltridecan-2-amine
CID 11153328
10-butoxydecylbenzene
CID 151496754
5-benzyl-4-propylnonan-4-amine;hydrochloride
CID 173427101
2-(1,1-dimethoxyethyl)decylbenzene
CID 151688969
[2,2-bis(bromomethyl)-4-butoxybutyl]benzene
CID 79453191
3-benzyl-2-methylheptadecan-2-amine;hydrate;hydrochloride
CID 173297757
2-butoxyethyl 2-benzyl-3-methylbutanoate
CID 169153476
3-methyl-1,4-diphenylbutane-2,2-diamine
CID 22904156

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-5-butoxy-1-phenylpentane-2,2-diamine?
The IUPAC name of 3-benzyl-5-butoxy-1-phenylpentane-2,2-diamine (CID 175956431) is 3-benzyl-5-butoxy-1-phenylpentane-2,2-diamine.
What is the SMILES notation for 3-benzyl-5-butoxy-1-phenylpentane-2,2-diamine?
The canonical SMILES for 3-benzyl-5-butoxy-1-phenylpentane-2,2-diamine is CCCCOCCC(Cc1ccccc1)C(N)(N)Cc1ccccc1.
What is the InChIKey of 3-benzyl-5-butoxy-1-phenylpentane-2,2-diamine?
The InChIKey is DOXFMDPDSSWQFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O/c1-2-3-15-25-16-14-21(17-19-10-6-4-7-11-19)22(23,24)18-20-12-8-5-9-13-20/h4-13,21H,2-3,14-18,23-24H2,1H3.
What are the key properties of 3-benzyl-5-butoxy-1-phenylpentane-2,2-diamine?
3-benzyl-5-butoxy-1-phenylpentane-2,2-diamine has a molecular weight of 340.51 g/mol, XLogP of 3.91, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-5-butoxy-1-phenylpentane-2,2-diamine is sourced from PubChem (CID 175956431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).