N-(2-phenylethyl)prop-2-yn-1-amine;hydrochloride

C11H14ClN — CID 17332734

IUPACN-(2-phenylethyl)prop-2-yn-1-amine;hydrochloride
SMILESC#CCNCCc1ccccc1.Cl
InChIInChI=1S/C11H13N.ClH/c1-2-9-12-10-8-11-6-4-3-5-7-11;/h1,3-7,12H,8-10H2;1H
InChIKeyDWIXMDAABPAORW-UHFFFAOYSA-N
MW195.69 g/mol
LogP1.87
Rot. Bonds4

About N-(2-phenylethyl)prop-2-yn-1-amine;hydrochloride

N-(2-phenylethyl)prop-2-yn-1-amine;hydrochloride (PubChem CID 17332734) has the molecular formula C11H14ClN and a molecular weight of 195.69 g/mol. Its IUPAC name is N-(2-phenylethyl)prop-2-yn-1-amine;hydrochloride.

Molecular Properties

Compound NameN-(2-phenylethyl)prop-2-yn-1-amine;hydrochloride
PubChem CID17332734
Molecular FormulaC11H14ClN
Molecular Weight195.69 g/mol
Exact Mass195.08
IUPAC NameN-(2-phenylethyl)prop-2-yn-1-amine;hydrochloride
SMILESC#CCNCCc1ccccc1.Cl
InChIInChI=1S/C11H13N.ClH/c1-2-9-12-10-8-11-6-4-3-5-7-11;/h1,3-7,12H,8-10H2;1H
InChIKeyDWIXMDAABPAORW-UHFFFAOYSA-N
XLogP1.87
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.69
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-chlorophenyl)ethyl]prop-2-yn-1-amine
CID 60687940
N-[2-(3-phenylpropoxy)ethyl]prop-2-yn-1-amine
CID 62584620
3-[2-(prop-2-ynylamino)ethyl]phenol
CID 10921791
N-[2-(2-methylphenyl)ethyl]prop-2-yn-1-amine
CID 112722414
3-phenyl-N-(2-phenylethyl)propan-1-amine;hydrochloride
CID 54603294
4-phenyl-1-(prop-2-ynylamino)butan-2-one
CID 116589465
N-[(4-ethylphenyl)methyl]-2-phenylethanamine;hydrochloride
CID 17289928
N-(2-naphthalen-1-ylethyl)prop-2-yn-1-amine
CID 87606018
N-[(4-ethynylphenyl)methyl]-2-phenylethanamine
CID 87605259
N-methyl-2-phenylethanamine;ytterbium(3+);trifluoride
CID 175294830
N-[2-(4-benzylphenoxy)ethyl]prop-2-yn-1-amine
CID 62584748
2-methyl-1-(2-phenylethyl)-3-prop-2-ynylguanidine;hydroiodide
CID 111134716

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylethyl)prop-2-yn-1-amine;hydrochloride?
The IUPAC name of N-(2-phenylethyl)prop-2-yn-1-amine;hydrochloride (CID 17332734) is N-(2-phenylethyl)prop-2-yn-1-amine;hydrochloride.
What is the SMILES notation for N-(2-phenylethyl)prop-2-yn-1-amine;hydrochloride?
The canonical SMILES for N-(2-phenylethyl)prop-2-yn-1-amine;hydrochloride is C#CCNCCc1ccccc1.Cl.
What is the InChIKey of N-(2-phenylethyl)prop-2-yn-1-amine;hydrochloride?
The InChIKey is DWIXMDAABPAORW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N.ClH/c1-2-9-12-10-8-11-6-4-3-5-7-11;/h1,3-7,12H,8-10H2;1H.
What are the key properties of N-(2-phenylethyl)prop-2-yn-1-amine;hydrochloride?
N-(2-phenylethyl)prop-2-yn-1-amine;hydrochloride has a molecular weight of 195.69 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylethyl)prop-2-yn-1-amine;hydrochloride is sourced from PubChem (CID 17332734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).