N-methyl-N-(2-phenylethyl)prop-2-yn-1-amine

C12H15N — CID 10012396

IUPACN-methyl-N-(2-phenylethyl)prop-2-yn-1-amine
SMILESC#CCN(C)CCc1ccccc1
InChIInChI=1S/C12H15N/c1-3-10-13(2)11-9-12-7-5-4-6-8-12/h1,4-8H,9-11H2,2H3
InChIKeyNISOCYUAQBTSBZ-UHFFFAOYSA-N
MW173.26 g/mol
LogP1.79
Rot. Bonds4

About N-methyl-N-(2-phenylethyl)prop-2-yn-1-amine

N-methyl-N-(2-phenylethyl)prop-2-yn-1-amine (PubChem CID 10012396) has the molecular formula C12H15N and a molecular weight of 173.26 g/mol. Its IUPAC name is N-methyl-N-(2-phenylethyl)prop-2-yn-1-amine.

Molecular Properties

Compound NameN-methyl-N-(2-phenylethyl)prop-2-yn-1-amine
PubChem CID10012396
Molecular FormulaC12H15N
Molecular Weight173.26 g/mol
Exact Mass173.12
IUPAC NameN-methyl-N-(2-phenylethyl)prop-2-yn-1-amine
SMILESC#CCN(C)CCc1ccccc1
InChIInChI=1S/C12H15N/c1-3-10-13(2)11-9-12-7-5-4-6-8-12/h1,4-8H,9-11H2,2H3
InChIKeyNISOCYUAQBTSBZ-UHFFFAOYSA-N
XLogP1.79
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-benzyl-N-methyl-N-prop-2-ynylprop-2-en-1-amine
CID 118152238
2-[2-phenylethyl(prop-2-ynyl)amino]acetic acid
CID 79274920
Te-phenyl N-(2-phenylethyl)-N-prop-2-ynylcarbamotelluroate
CID 138971914
N,N-dimethyl-2-phenylethanamine;hydrazine
CID 159470324
N',2,2-trimethyl-N'-(2-phenylethyl)propane-1,3-diamine;hydrochloride
CID 119928998
4-phenyl-1-N-propyl-1-N-prop-2-ynylbutane-1,2-diamine
CID 114929822
1-methyl-1-(2-phenylethyl)hydrazine;hydrochloride
CID 46929951
1-N-methyl-1-N-(2-phenylethyl)butane-1,3-diamine
CID 65488739
2-methyl-4-[methyl(2-phenylethyl)amino]butan-2-ol
CID 79359532
N-methyl-2-phenyl-N-(pyridin-4-ylmethyl)ethanamine
CID 3817841
(2R)-N-methyl-1-phenyl-N-prop-2-ynylpropan-2-amine
CID 87223086
N-benzyl-N-methyl-2-pyridin-4-ylethanamine
CID 78793254

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-phenylethyl)prop-2-yn-1-amine?
The IUPAC name of N-methyl-N-(2-phenylethyl)prop-2-yn-1-amine (CID 10012396) is N-methyl-N-(2-phenylethyl)prop-2-yn-1-amine.
What is the SMILES notation for N-methyl-N-(2-phenylethyl)prop-2-yn-1-amine?
The canonical SMILES for N-methyl-N-(2-phenylethyl)prop-2-yn-1-amine is C#CCN(C)CCc1ccccc1.
What is the InChIKey of N-methyl-N-(2-phenylethyl)prop-2-yn-1-amine?
The InChIKey is NISOCYUAQBTSBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N/c1-3-10-13(2)11-9-12-7-5-4-6-8-12/h1,4-8H,9-11H2,2H3.
What are the key properties of N-methyl-N-(2-phenylethyl)prop-2-yn-1-amine?
N-methyl-N-(2-phenylethyl)prop-2-yn-1-amine has a molecular weight of 173.26 g/mol, XLogP of 1.79, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-phenylethyl)prop-2-yn-1-amine is sourced from PubChem (CID 10012396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).