5-[(2-aminophenyl)methyl-ethylamino]pentan-1-ol

C14H24N2O — CID 62229041

IUPAC5-[(2-aminophenyl)methyl-ethylamino]pentan-1-ol
SMILESCCN(CCCCCO)Cc1ccccc1N
InChIInChI=1S/C14H24N2O/c1-2-16(10-6-3-7-11-17)12-13-8-4-5-9-14(13)15/h4-5,8-9,17H,2-3,6-7,10-12,15H2,1H3
InChIKeyUDHHSYYZPWBMLE-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.25
Rot. Bonds8

About 5-[(2-aminophenyl)methyl-ethylamino]pentan-1-ol

5-[(2-aminophenyl)methyl-ethylamino]pentan-1-ol (PubChem CID 62229041) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 5-[(2-aminophenyl)methyl-ethylamino]pentan-1-ol.

Molecular Properties

Compound Name5-[(2-aminophenyl)methyl-ethylamino]pentan-1-ol
PubChem CID62229041
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name5-[(2-aminophenyl)methyl-ethylamino]pentan-1-ol
SMILESCCN(CCCCCO)Cc1ccccc1N
InChIInChI=1S/C14H24N2O/c1-2-16(10-6-3-7-11-17)12-13-8-4-5-9-14(13)15/h4-5,8-9,17H,2-3,6-7,10-12,15H2,1H3
InChIKeyUDHHSYYZPWBMLE-UHFFFAOYSA-N
XLogP2.25
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 5-[(2-aminophenyl)methyl-ethylamino]pentan-1-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

2-[[ethyl(pentyl)amino]methyl]aniline
CID 43459376
2-[[ethyl(3-phenylpropyl)amino]methyl]aniline
CID 43459373
2-[[octyl(propyl)amino]methyl]aniline
CID 43459961
6-[(2-aminophenyl)methyl-ethylamino]-2,2-dimethylhexanenitrile
CID 106712874
2-[(3-amino-2-methylphenyl)methyl-ethylamino]ethanol
CID 60980897
2-[[ethyl(3-hydroxypropyl)amino]methyl]benzonitrile
CID 115582111
2-[[ethyl-[2-(3-methoxypropoxy)ethyl]amino]methyl]aniline
CID 103180360
N'-ethyl-N'-[(2-methylphenyl)methyl]pentane-1,5-diamine
CID 54965709
2-[[ethyl(2-pyrazol-1-ylethyl)amino]methyl]aniline
CID 54961833
3-[[2-(difluoromethoxy)phenyl]methyl-ethylamino]propan-1-ol
CID 115666360
2-[[ethyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]methyl]aniline
CID 61490610
2-amino-6-[[butyl(ethyl)amino]methyl]benzoic acid
CID 104824272

Frequently Asked Questions

What is the IUPAC name of 5-[(2-aminophenyl)methyl-ethylamino]pentan-1-ol?
The IUPAC name of 5-[(2-aminophenyl)methyl-ethylamino]pentan-1-ol (CID 62229041) is 5-[(2-aminophenyl)methyl-ethylamino]pentan-1-ol.
What is the SMILES notation for 5-[(2-aminophenyl)methyl-ethylamino]pentan-1-ol?
The canonical SMILES for 5-[(2-aminophenyl)methyl-ethylamino]pentan-1-ol is CCN(CCCCCO)Cc1ccccc1N.
What is the InChIKey of 5-[(2-aminophenyl)methyl-ethylamino]pentan-1-ol?
The InChIKey is UDHHSYYZPWBMLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-2-16(10-6-3-7-11-17)12-13-8-4-5-9-14(13)15/h4-5,8-9,17H,2-3,6-7,10-12,15H2,1H3.
What are the key properties of 5-[(2-aminophenyl)methyl-ethylamino]pentan-1-ol?
5-[(2-aminophenyl)methyl-ethylamino]pentan-1-ol has a molecular weight of 236.36 g/mol, XLogP of 2.25, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-aminophenyl)methyl-ethylamino]pentan-1-ol is sourced from PubChem (CID 62229041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).