(2-prop-2-ynoxyphenyl)methanamine;hydrochloride

C10H12ClNO — CID 50988698

IUPAC(2-prop-2-ynoxyphenyl)methanamine;hydrochloride
SMILESC#CCOc1ccccc1CN.Cl
InChIInChI=1S/C10H11NO.ClH/c1-2-7-12-10-6-4-3-5-9(10)8-11;/h1,3-6H,7-8,11H2;1H
InChIKeyRIIILOUMTUZYJX-UHFFFAOYSA-N
MW197.67 g/mol
LogP1.58
Rot. Bonds3

About (2-prop-2-ynoxyphenyl)methanamine;hydrochloride

(2-prop-2-ynoxyphenyl)methanamine;hydrochloride (PubChem CID 50988698) has the molecular formula C10H12ClNO and a molecular weight of 197.67 g/mol. Its IUPAC name is (2-prop-2-ynoxyphenyl)methanamine;hydrochloride.

Molecular Properties

Compound Name(2-prop-2-ynoxyphenyl)methanamine;hydrochloride
PubChem CID50988698
Molecular FormulaC10H12ClNO
Molecular Weight197.67 g/mol
Exact Mass197.06
IUPAC Name(2-prop-2-ynoxyphenyl)methanamine;hydrochloride
SMILESC#CCOc1ccccc1CN.Cl
InChIInChI=1S/C10H11NO.ClH/c1-2-7-12-10-6-4-3-5-9(10)8-11;/h1,3-6H,7-8,11H2;1H
InChIKeyRIIILOUMTUZYJX-UHFFFAOYSA-N
XLogP1.58
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.67
LogP ≤ 51.58
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

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CID 162161399
[2-(fluoromethoxy)phenyl]methanamine;hydrochloride
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2-[(2-prop-2-ynoxyphenyl)methylamino]acetamide
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N-[(2-prop-2-ynoxyphenyl)methyl]propan-2-amine
CID 28610201
1-prop-2-ynoxy-2-[6-(2-prop-2-ynoxyphenoxy)hexa-2,4-diynoxy]benzene
CID 11089987
4-bromo-N-[(2-prop-2-ynoxyphenyl)methyl]aniline
CID 28616119
2-prop-2-ynoxybenzonitrile
CID 11040948
1-[2-(aminomethyl)phenoxy]propan-2-ol;hydrochloride
CID 54594731
(2-pent-3-ynoxyphenyl)methanamine
CID 104804318
1,1-dicyclopropyl-N-[(2-prop-2-ynoxyphenyl)methyl]methanamine
CID 28661521
(1S)-1-phenyl-N-[(2-prop-2-ynoxyphenyl)methyl]ethanamine
CID 28609857

Frequently Asked Questions

What is the IUPAC name of (2-prop-2-ynoxyphenyl)methanamine;hydrochloride?
The IUPAC name of (2-prop-2-ynoxyphenyl)methanamine;hydrochloride (CID 50988698) is (2-prop-2-ynoxyphenyl)methanamine;hydrochloride.
What is the SMILES notation for (2-prop-2-ynoxyphenyl)methanamine;hydrochloride?
The canonical SMILES for (2-prop-2-ynoxyphenyl)methanamine;hydrochloride is C#CCOc1ccccc1CN.Cl.
What is the InChIKey of (2-prop-2-ynoxyphenyl)methanamine;hydrochloride?
The InChIKey is RIIILOUMTUZYJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO.ClH/c1-2-7-12-10-6-4-3-5-9(10)8-11;/h1,3-6H,7-8,11H2;1H.
What are the key properties of (2-prop-2-ynoxyphenyl)methanamine;hydrochloride?
(2-prop-2-ynoxyphenyl)methanamine;hydrochloride has a molecular weight of 197.67 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-prop-2-ynoxyphenyl)methanamine;hydrochloride is sourced from PubChem (CID 50988698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).