3-[[4-(diethylamino)phenyl]methylamino]butan-1-ol

C15H26N2O — CID 78997739

IUPAC3-[[4-(diethylamino)phenyl]methylamino]butan-1-ol
SMILESCCN(CC)c1ccc(CNC(C)CCO)cc1
InChIInChI=1S/C15H26N2O/c1-4-17(5-2)15-8-6-14(7-9-15)12-16-13(3)10-11-18/h6-9,13,16,18H,4-5,10-12H2,1-3H3
InChIKeyUSLCISWXLXYHIT-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.39
Rot. Bonds8

About 3-[[4-(diethylamino)phenyl]methylamino]butan-1-ol

3-[[4-(diethylamino)phenyl]methylamino]butan-1-ol (PubChem CID 78997739) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 3-[[4-(diethylamino)phenyl]methylamino]butan-1-ol.

Molecular Properties

Compound Name3-[[4-(diethylamino)phenyl]methylamino]butan-1-ol
PubChem CID78997739
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name3-[[4-(diethylamino)phenyl]methylamino]butan-1-ol
SMILESCCN(CC)c1ccc(CNC(C)CCO)cc1
InChIInChI=1S/C15H26N2O/c1-4-17(5-2)15-8-6-14(7-9-15)12-16-13(3)10-11-18/h6-9,13,16,18H,4-5,10-12H2,1-3H3
InChIKeyUSLCISWXLXYHIT-UHFFFAOYSA-N
XLogP2.39
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.39
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-[[[(2R)-butan-2-yl]amino]methyl]-N,N-diethylaniline
CID 40649734
N,N-diethyl-4-[(heptan-2-ylamino)methyl]aniline
CID 43398761
(3R)-3-[(4-methylsulfanylphenyl)methylamino]butan-1-ol
CID 103854632
3-[(4-phenylphenyl)methylamino]butan-1-ol
CID 78998247
4-[[[(2R)-4-hydroxybutan-2-yl]amino]methyl]benzonitrile
CID 103854827
(2S)-2-[[4-(dimethylamino)phenyl]methylamino]propan-1-ol
CID 93083040
2-[[4-(dimethylamino)phenyl]methylamino]propan-1-ol
CID 43499772
(4R)-4-[(4-methylphenyl)methylamino]pentan-1-ol
CID 97051524
N,N-diethyl-4-[[[(1R)-1-(furan-2-yl)ethyl]amino]methyl]aniline
CID 81403321
2,6-difluoro-4-[[[(2R)-4-hydroxybutan-2-yl]amino]methyl]phenol
CID 103854738
(3R)-3-[(3-fluoro-4-methylphenyl)methylamino]butan-1-ol
CID 103854790
(2S)-1-[4-(diethylamino)phenyl]propan-2-ol
CID 94776344

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(diethylamino)phenyl]methylamino]butan-1-ol?
The IUPAC name of 3-[[4-(diethylamino)phenyl]methylamino]butan-1-ol (CID 78997739) is 3-[[4-(diethylamino)phenyl]methylamino]butan-1-ol.
What is the SMILES notation for 3-[[4-(diethylamino)phenyl]methylamino]butan-1-ol?
The canonical SMILES for 3-[[4-(diethylamino)phenyl]methylamino]butan-1-ol is CCN(CC)c1ccc(CNC(C)CCO)cc1.
What is the InChIKey of 3-[[4-(diethylamino)phenyl]methylamino]butan-1-ol?
The InChIKey is USLCISWXLXYHIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-4-17(5-2)15-8-6-14(7-9-15)12-16-13(3)10-11-18/h6-9,13,16,18H,4-5,10-12H2,1-3H3.
What are the key properties of 3-[[4-(diethylamino)phenyl]methylamino]butan-1-ol?
3-[[4-(diethylamino)phenyl]methylamino]butan-1-ol has a molecular weight of 250.39 g/mol, XLogP of 2.39, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(diethylamino)phenyl]methylamino]butan-1-ol is sourced from PubChem (CID 78997739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).