3-[2-[methyl(prop-2-ynyl)amino]phenyl]propan-1-ol

C13H17NO — CID 142765189

IUPAC3-[2-[methyl(prop-2-ynyl)amino]phenyl]propan-1-ol
SMILESC#CCN(C)c1ccccc1CCCO
InChIInChI=1S/C13H17NO/c1-3-10-14(2)13-9-5-4-7-12(13)8-6-11-15/h1,4-5,7,9,15H,6,8,10-11H2,2H3
InChIKeyGXWNEUNNMNVUTE-UHFFFAOYSA-N
MW203.28 g/mol
LogP1.68
Rot. Bonds5

About 3-[2-[methyl(prop-2-ynyl)amino]phenyl]propan-1-ol

3-[2-[methyl(prop-2-ynyl)amino]phenyl]propan-1-ol (PubChem CID 142765189) has the molecular formula C13H17NO and a molecular weight of 203.28 g/mol. Its IUPAC name is 3-[2-[methyl(prop-2-ynyl)amino]phenyl]propan-1-ol.

Molecular Properties

Compound Name3-[2-[methyl(prop-2-ynyl)amino]phenyl]propan-1-ol
PubChem CID142765189
Molecular FormulaC13H17NO
Molecular Weight203.28 g/mol
Exact Mass203.13
IUPAC Name3-[2-[methyl(prop-2-ynyl)amino]phenyl]propan-1-ol
SMILESC#CCN(C)c1ccccc1CCCO
InChIInChI=1S/C13H17NO/c1-3-10-14(2)13-9-5-4-7-12(13)8-6-11-15/h1,4-5,7,9,15H,6,8,10-11H2,2H3
InChIKeyGXWNEUNNMNVUTE-UHFFFAOYSA-N
XLogP1.68
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-methyl-2-prop-2-enyl-N-prop-2-ynylaniline
CID 134837419
2-bromo-6-[methyl(prop-2-ynyl)amino]benzoic acid
CID 114888381
2-[2-[2-hydroxyethyl(methyl)amino]phenyl]acetic acid
CID 83820596
[2-[butyl(methyl)amino]phenyl]methanol
CID 28945677
2-heptyl-N,N-dimethylaniline
CID 69464807
3-naphthalen-1-ylpropan-1-ol
CID 14711518
1-[2-(3-hydroxypropyl)phenyl]ethane-1,2-diol
CID 117286234
N,N-dimethyl-2-nonadecylaniline;hydrochloride
CID 175204059
2-dodecyl-N,N-dimethylaniline;hydrobromide
CID 175216326
2-heptadecyl-N,N-dimethylaniline;hydrochloride
CID 175215390
N,N-dimethyl-2-octadecylaniline;hydrobromide
CID 175213757
(2-butylphenyl)-methylcarbamic acid
CID 57194702

Frequently Asked Questions

What is the IUPAC name of 3-[2-[methyl(prop-2-ynyl)amino]phenyl]propan-1-ol?
The IUPAC name of 3-[2-[methyl(prop-2-ynyl)amino]phenyl]propan-1-ol (CID 142765189) is 3-[2-[methyl(prop-2-ynyl)amino]phenyl]propan-1-ol.
What is the SMILES notation for 3-[2-[methyl(prop-2-ynyl)amino]phenyl]propan-1-ol?
The canonical SMILES for 3-[2-[methyl(prop-2-ynyl)amino]phenyl]propan-1-ol is C#CCN(C)c1ccccc1CCCO.
What is the InChIKey of 3-[2-[methyl(prop-2-ynyl)amino]phenyl]propan-1-ol?
The InChIKey is GXWNEUNNMNVUTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c1-3-10-14(2)13-9-5-4-7-12(13)8-6-11-15/h1,4-5,7,9,15H,6,8,10-11H2,2H3.
What are the key properties of 3-[2-[methyl(prop-2-ynyl)amino]phenyl]propan-1-ol?
3-[2-[methyl(prop-2-ynyl)amino]phenyl]propan-1-ol has a molecular weight of 203.28 g/mol, XLogP of 1.68, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[methyl(prop-2-ynyl)amino]phenyl]propan-1-ol is sourced from PubChem (CID 142765189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).