1-[methyl(3-phenylpropyl)amino]ethanol

C12H19NO — CID 67730739

IUPAC1-[methyl(3-phenylpropyl)amino]ethanol
SMILESCC(O)N(C)CCCc1ccccc1
InChIInChI=1S/C12H19NO/c1-11(14)13(2)10-6-9-12-7-4-3-5-8-12/h3-5,7-8,11,14H,6,9-10H2,1-2H3
InChIKeyUUFRAYWDWMUIGO-UHFFFAOYSA-N
MW193.29 g/mol
LogP1.89
Rot. Bonds5

About 1-[methyl(3-phenylpropyl)amino]ethanol

1-[methyl(3-phenylpropyl)amino]ethanol (PubChem CID 67730739) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 1-[methyl(3-phenylpropyl)amino]ethanol.

Molecular Properties

Compound Name1-[methyl(3-phenylpropyl)amino]ethanol
PubChem CID67730739
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name1-[methyl(3-phenylpropyl)amino]ethanol
SMILESCC(O)N(C)CCCc1ccccc1
InChIInChI=1S/C12H19NO/c1-11(14)13(2)10-6-9-12-7-4-3-5-8-12/h3-5,7-8,11,14H,6,9-10H2,1-2H3
InChIKeyUUFRAYWDWMUIGO-UHFFFAOYSA-N
XLogP1.89
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-methyl-1-phenyl-N-(3-phenylpropyl)propan-2-amine;hydrochloride
CID 158918700
N'-hydroxy-2-[methyl(3-phenylpropyl)amino]propanimidamide
CID 76928460
3-[methyl(2-phenylethyl)amino]butan-2-ol
CID 65485936
N-methyl-5-phenyl-N-(1-phenylpropan-2-yl)pentan-1-amine
CID 14831238
(2S)-2-amino-N,3-dimethyl-N-(3-phenylpropyl)butanamide
CID 61154408
2-amino-N,3-dimethyl-N-(3-phenylpropyl)butanamide
CID 43588760
2-methyl-7-phenylheptan-3-ol
CID 10976646
2,3-dimethyl-4-[methyl(3-phenylpropyl)amino]-4-oxobutanoic acid
CID 103496592
6-phenyl-3-propan-2-ylhexan-2-ol
CID 62914612
2-methyl-7-phenylheptane-3,4-diol
CID 103456597
N-ethyl-N-(3-phenylpropyl)hydroxylamine
CID 146633464
N,N-dimethyl-5-phenylpentan-2-amine
CID 12951765

Frequently Asked Questions

What is the IUPAC name of 1-[methyl(3-phenylpropyl)amino]ethanol?
The IUPAC name of 1-[methyl(3-phenylpropyl)amino]ethanol (CID 67730739) is 1-[methyl(3-phenylpropyl)amino]ethanol.
What is the SMILES notation for 1-[methyl(3-phenylpropyl)amino]ethanol?
The canonical SMILES for 1-[methyl(3-phenylpropyl)amino]ethanol is CC(O)N(C)CCCc1ccccc1.
What is the InChIKey of 1-[methyl(3-phenylpropyl)amino]ethanol?
The InChIKey is UUFRAYWDWMUIGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-11(14)13(2)10-6-9-12-7-4-3-5-8-12/h3-5,7-8,11,14H,6,9-10H2,1-2H3.
What are the key properties of 1-[methyl(3-phenylpropyl)amino]ethanol?
1-[methyl(3-phenylpropyl)amino]ethanol has a molecular weight of 193.29 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methyl(3-phenylpropyl)amino]ethanol is sourced from PubChem (CID 67730739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).