5-[[2-amino-1-[4-(dimethylamino)phenyl]ethyl]amino]pentan-1-ol

C15H27N3O — CID 107317121

IUPAC5-[[2-amino-1-[4-(dimethylamino)phenyl]ethyl]amino]pentan-1-ol
SMILESCN(C)c1ccc(C(CN)NCCCCCO)cc1
InChIInChI=1S/C15H27N3O/c1-18(2)14-8-6-13(7-9-14)15(12-16)17-10-4-3-5-11-19/h6-9,15,17,19H,3-5,10-12,16H2,1-2H3
InChIKeyLNJCKQBSZGNPAU-UHFFFAOYSA-N
MW265.40 g/mol
LogP1.50
Rot. Bonds9

About 5-[[2-amino-1-[4-(dimethylamino)phenyl]ethyl]amino]pentan-1-ol

5-[[2-amino-1-[4-(dimethylamino)phenyl]ethyl]amino]pentan-1-ol (PubChem CID 107317121) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is 5-[[2-amino-1-[4-(dimethylamino)phenyl]ethyl]amino]pentan-1-ol.

Molecular Properties

Compound Name5-[[2-amino-1-[4-(dimethylamino)phenyl]ethyl]amino]pentan-1-ol
PubChem CID107317121
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name5-[[2-amino-1-[4-(dimethylamino)phenyl]ethyl]amino]pentan-1-ol
SMILESCN(C)c1ccc(C(CN)NCCCCCO)cc1
InChIInChI=1S/C15H27N3O/c1-18(2)14-8-6-13(7-9-14)15(12-16)17-10-4-3-5-11-19/h6-9,15,17,19H,3-5,10-12,16H2,1-2H3
InChIKeyLNJCKQBSZGNPAU-UHFFFAOYSA-N
XLogP1.50
TPSA61.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[[2-amino-1-(3,5-dimethylphenyl)ethyl]amino]pentan-1-ol
CID 107316866
3-[[2-amino-1-[4-(dimethylamino)phenyl]ethyl]amino]butan-1-ol
CID 83177263
5-amino-5-[4-(dimethylamino)phenyl]pentan-1-ol
CID 82367205
3-[[2-amino-1-(4-phenylphenyl)ethyl]amino]propan-1-ol
CID 65377405
1-[4-(dimethylamino)phenyl]-N-propan-2-ylethane-1,2-diamine
CID 62066969
3-[[2-amino-1-[4-(trifluoromethyl)phenyl]ethyl]amino]propan-1-ol
CID 65376991
1-[4-(dimethylamino)phenyl]-N-phenylethane-1,2-diamine
CID 65380712
5-[[2-amino-1-(1-methyl-2,3-dihydroindol-5-yl)ethyl]amino]pentan-1-ol
CID 107316969
4-[[2-amino-1-(3-bromo-4-methoxyphenyl)ethyl]amino]butan-1-ol
CID 106841472
N-dodecyl-1-phenylethane-1,2-diamine
CID 146442827
N'-[1-[4-(dimethylamino)phenyl]ethyl]propane-1,3-diamine
CID 60893556
5-(1-phenylpropylamino)pentan-1-ol
CID 62305220

Frequently Asked Questions

What is the IUPAC name of 5-[[2-amino-1-[4-(dimethylamino)phenyl]ethyl]amino]pentan-1-ol?
The IUPAC name of 5-[[2-amino-1-[4-(dimethylamino)phenyl]ethyl]amino]pentan-1-ol (CID 107317121) is 5-[[2-amino-1-[4-(dimethylamino)phenyl]ethyl]amino]pentan-1-ol.
What is the SMILES notation for 5-[[2-amino-1-[4-(dimethylamino)phenyl]ethyl]amino]pentan-1-ol?
The canonical SMILES for 5-[[2-amino-1-[4-(dimethylamino)phenyl]ethyl]amino]pentan-1-ol is CN(C)c1ccc(C(CN)NCCCCCO)cc1.
What is the InChIKey of 5-[[2-amino-1-[4-(dimethylamino)phenyl]ethyl]amino]pentan-1-ol?
The InChIKey is LNJCKQBSZGNPAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-18(2)14-8-6-13(7-9-14)15(12-16)17-10-4-3-5-11-19/h6-9,15,17,19H,3-5,10-12,16H2,1-2H3.
What are the key properties of 5-[[2-amino-1-[4-(dimethylamino)phenyl]ethyl]amino]pentan-1-ol?
5-[[2-amino-1-[4-(dimethylamino)phenyl]ethyl]amino]pentan-1-ol has a molecular weight of 265.40 g/mol, XLogP of 1.50, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-amino-1-[4-(dimethylamino)phenyl]ethyl]amino]pentan-1-ol is sourced from PubChem (CID 107317121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).