3-[[1-[4-(dimethylamino)phenyl]ethylamino]methyl]pentan-3-ol

C16H28N2O — CID 65107765

IUPAC3-[[1-[4-(dimethylamino)phenyl]ethylamino]methyl]pentan-3-ol
SMILESCCC(O)(CC)CNC(C)c1ccc(N(C)C)cc1
InChIInChI=1S/C16H28N2O/c1-6-16(19,7-2)12-17-13(3)14-8-10-15(11-9-14)18(4)5/h8-11,13,17,19H,6-7,12H2,1-5H3
InChIKeyZZVBVWFZMXJMAV-UHFFFAOYSA-N
MW264.41 g/mol
LogP2.95
Rot. Bonds7

About 3-[[1-[4-(dimethylamino)phenyl]ethylamino]methyl]pentan-3-ol

3-[[1-[4-(dimethylamino)phenyl]ethylamino]methyl]pentan-3-ol (PubChem CID 65107765) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is 3-[[1-[4-(dimethylamino)phenyl]ethylamino]methyl]pentan-3-ol.

Molecular Properties

Compound Name3-[[1-[4-(dimethylamino)phenyl]ethylamino]methyl]pentan-3-ol
PubChem CID65107765
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name3-[[1-[4-(dimethylamino)phenyl]ethylamino]methyl]pentan-3-ol
SMILESCCC(O)(CC)CNC(C)c1ccc(N(C)C)cc1
InChIInChI=1S/C16H28N2O/c1-6-16(19,7-2)12-17-13(3)14-8-10-15(11-9-14)18(4)5/h8-11,13,17,19H,6-7,12H2,1-5H3
InChIKeyZZVBVWFZMXJMAV-UHFFFAOYSA-N
XLogP2.95
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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'}

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Related Compounds

4-[1-[(2-ethyl-2-hydroxybutyl)amino]ethyl]phenol
CID 65107715
3-[[1-(4-ethylphenyl)ethylamino]methyl]pentan-3-ol
CID 65108247
1-N-[1-[4-(dimethylamino)phenyl]ethyl]-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 43767769
3-[(1-pyridin-4-ylethylamino)methyl]pentan-3-ol
CID 65107876
3-[[1-(3,5-dimethylphenyl)ethylamino]methyl]pentan-3-ol
CID 81333592
ethyl 2-[1-[4-(dimethylamino)phenyl]ethylamino]acetate
CID 54921228
N,N-dimethyl-4-[1-(2-methylprop-2-enylamino)ethyl]aniline
CID 114449211
N,N-dimethyl-4-[1-(prop-2-enylamino)ethyl]aniline
CID 43755380
methyl 2-[1-[4-(dimethylamino)phenyl]ethylamino]acetate
CID 43756855
ethyl 4-[1-[4-(dimethylamino)phenyl]ethylamino]butanoate
CID 64578318
N-[1-[4-(dimethylamino)phenyl]ethyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 62635758
N'-[1-[4-(dimethylamino)phenyl]ethyl]propane-1,3-diamine
CID 60893556

Frequently Asked Questions

What is the IUPAC name of 3-[[1-[4-(dimethylamino)phenyl]ethylamino]methyl]pentan-3-ol?
The IUPAC name of 3-[[1-[4-(dimethylamino)phenyl]ethylamino]methyl]pentan-3-ol (CID 65107765) is 3-[[1-[4-(dimethylamino)phenyl]ethylamino]methyl]pentan-3-ol.
What is the SMILES notation for 3-[[1-[4-(dimethylamino)phenyl]ethylamino]methyl]pentan-3-ol?
The canonical SMILES for 3-[[1-[4-(dimethylamino)phenyl]ethylamino]methyl]pentan-3-ol is CCC(O)(CC)CNC(C)c1ccc(N(C)C)cc1.
What is the InChIKey of 3-[[1-[4-(dimethylamino)phenyl]ethylamino]methyl]pentan-3-ol?
The InChIKey is ZZVBVWFZMXJMAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-6-16(19,7-2)12-17-13(3)14-8-10-15(11-9-14)18(4)5/h8-11,13,17,19H,6-7,12H2,1-5H3.
What are the key properties of 3-[[1-[4-(dimethylamino)phenyl]ethylamino]methyl]pentan-3-ol?
3-[[1-[4-(dimethylamino)phenyl]ethylamino]methyl]pentan-3-ol has a molecular weight of 264.41 g/mol, XLogP of 2.95, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-[4-(dimethylamino)phenyl]ethylamino]methyl]pentan-3-ol is sourced from PubChem (CID 65107765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).