4-[[4-(dimethylamino)phenyl]methylamino]-1-methoxybutan-2-ol

C14H24N2O2 — CID 103876190

IUPAC4-[[4-(dimethylamino)phenyl]methylamino]-1-methoxybutan-2-ol
SMILESCOCC(O)CCNCc1ccc(N(C)C)cc1
InChIInChI=1S/C14H24N2O2/c1-16(2)13-6-4-12(5-7-13)10-15-9-8-14(17)11-18-3/h4-7,14-15,17H,8-11H2,1-3H3
InChIKeyFBMXZDFXLFHRFA-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.24
Rot. Bonds8

About 4-[[4-(dimethylamino)phenyl]methylamino]-1-methoxybutan-2-ol

4-[[4-(dimethylamino)phenyl]methylamino]-1-methoxybutan-2-ol (PubChem CID 103876190) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 4-[[4-(dimethylamino)phenyl]methylamino]-1-methoxybutan-2-ol.

Molecular Properties

Compound Name4-[[4-(dimethylamino)phenyl]methylamino]-1-methoxybutan-2-ol
PubChem CID103876190
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name4-[[4-(dimethylamino)phenyl]methylamino]-1-methoxybutan-2-ol
SMILESCOCC(O)CCNCc1ccc(N(C)C)cc1
InChIInChI=1S/C14H24N2O2/c1-16(2)13-6-4-12(5-7-13)10-15-9-8-14(17)11-18-3/h4-7,14-15,17H,8-11H2,1-3H3
InChIKeyFBMXZDFXLFHRFA-UHFFFAOYSA-N
XLogP1.24
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.24
H-Bond Donors ≤ 52
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

4-[(3-methoxypropylamino)methyl]-N,N-dimethylaniline;dihydrochloride
CID 17207022
1-methoxy-4-[(4-pentoxyphenyl)methylamino]butan-2-ol
CID 103876257
1-methoxy-4-[(4-pyrrolidin-1-ylphenyl)methylamino]butan-2-ol
CID 103876281
4-[[(3-hydroxy-4-methoxybutyl)amino]methyl]-2-methoxyphenol
CID 103953827
4-[(3-bromo-4-fluorophenyl)methylamino]-1-methoxybutan-2-ol
CID 103876406
4-[(3,3-diphenylpropylamino)methyl]-N,N-dimethylaniline
CID 162662144
N,N'-bis[[4-(dimethylamino)phenyl]methyl]octane-1,8-diamine
CID 3029601
2-[[4-(dimethylamino)phenyl]methylamino]ethyl acetate
CID 82533397
N,N'-bis[[4-(dimethylamino)phenyl]methyl]octane-1,8-diamine;tetrahydrochloride
CID 3029600
N,N-dimethyl-4-[(3-methylsulfinylbutylamino)methyl]aniline
CID 115711614
1-methoxy-4-[(3-propan-2-yloxyphenyl)methylamino]butan-2-ol
CID 103876248
4-[(3-fluoro-4-nitrophenyl)methylamino]-1-methoxybutan-2-ol
CID 106246711

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(dimethylamino)phenyl]methylamino]-1-methoxybutan-2-ol?
The IUPAC name of 4-[[4-(dimethylamino)phenyl]methylamino]-1-methoxybutan-2-ol (CID 103876190) is 4-[[4-(dimethylamino)phenyl]methylamino]-1-methoxybutan-2-ol.
What is the SMILES notation for 4-[[4-(dimethylamino)phenyl]methylamino]-1-methoxybutan-2-ol?
The canonical SMILES for 4-[[4-(dimethylamino)phenyl]methylamino]-1-methoxybutan-2-ol is COCC(O)CCNCc1ccc(N(C)C)cc1.
What is the InChIKey of 4-[[4-(dimethylamino)phenyl]methylamino]-1-methoxybutan-2-ol?
The InChIKey is FBMXZDFXLFHRFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-16(2)13-6-4-12(5-7-13)10-15-9-8-14(17)11-18-3/h4-7,14-15,17H,8-11H2,1-3H3.
What are the key properties of 4-[[4-(dimethylamino)phenyl]methylamino]-1-methoxybutan-2-ol?
4-[[4-(dimethylamino)phenyl]methylamino]-1-methoxybutan-2-ol has a molecular weight of 252.36 g/mol, XLogP of 1.24, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(dimethylamino)phenyl]methylamino]-1-methoxybutan-2-ol is sourced from PubChem (CID 103876190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).