3-phenyl-N-[(1R)-1-pyridin-2-ylethyl]prop-2-yn-1-amine

C16H16N2 — CID 81401770

IUPAC3-phenyl-N-[(1R)-1-pyridin-2-ylethyl]prop-2-yn-1-amine
SMILESC[C@@H](NCC#Cc1ccccc1)c1ccccn1
InChIInChI=1S/C16H16N2/c1-14(16-11-5-6-12-18-16)17-13-7-10-15-8-3-2-4-9-15/h2-6,8-9,11-12,14,17H,13H2,1H3/t14-/m1/s1
InChIKeyYLFGNXZBAPZFQQ-CQSZACIVSA-N
MW236.32 g/mol
LogP2.78
Rot. Bonds3

About 3-phenyl-N-[(1R)-1-pyridin-2-ylethyl]prop-2-yn-1-amine

3-phenyl-N-[(1R)-1-pyridin-2-ylethyl]prop-2-yn-1-amine (PubChem CID 81401770) has the molecular formula C16H16N2 and a molecular weight of 236.32 g/mol. Its IUPAC name is 3-phenyl-N-[(1R)-1-pyridin-2-ylethyl]prop-2-yn-1-amine.

Molecular Properties

Compound Name3-phenyl-N-[(1R)-1-pyridin-2-ylethyl]prop-2-yn-1-amine
PubChem CID81401770
Molecular FormulaC16H16N2
Molecular Weight236.32 g/mol
Exact Mass236.13
IUPAC Name3-phenyl-N-[(1R)-1-pyridin-2-ylethyl]prop-2-yn-1-amine
SMILESC[C@@H](NCC#Cc1ccccc1)c1ccccn1
InChIInChI=1S/C16H16N2/c1-14(16-11-5-6-12-18-16)17-13-7-10-15-8-3-2-4-9-15/h2-6,8-9,11-12,14,17H,13H2,1H3/t14-/m1/s1
InChIKeyYLFGNXZBAPZFQQ-CQSZACIVSA-N
XLogP2.78
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 52.78
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-[(1S)-1-pyridin-2-ylethyl]but-2-yn-1-amine
CID 81402313
2-[[(1R)-1-pyridin-2-ylethyl]amino]acetonitrile
CID 81407753
(1R)-1-pyridin-2-yl-N-(pyrimidin-2-ylmethyl)ethanamine
CID 81407076
2-phenyl-N-(1-pyridin-2-ylethyl)prop-2-en-1-amine
CID 113288104
1-phenoxy-3-[[(1S)-1-pyridin-2-ylethyl]amino]propan-2-ol
CID 81402245
1-(1-pyridin-2-ylethylamino)propan-2-ol
CID 43499405
N-[1-(5-methylfuran-2-yl)ethyl]-3-phenylprop-2-yn-1-amine
CID 62340356
2-methyl-3-methylsulfanyl-N-(1-pyridin-2-ylethyl)propan-1-amine
CID 63982135
N-(1-pyridin-2-ylethyl)pent-4-yn-1-amine
CID 115872152
3-[[(1R)-1-pyridin-2-ylethyl]amino]propanoic acid
CID 81406743
4-(2-phenylethynyl)-N-(1-pyridin-2-ylethyl)benzamide
CID 24645517
3,3-dimethyl-N-[(1S)-1-pyridin-2-ylethyl]butan-1-amine
CID 81399957

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-[(1R)-1-pyridin-2-ylethyl]prop-2-yn-1-amine?
The IUPAC name of 3-phenyl-N-[(1R)-1-pyridin-2-ylethyl]prop-2-yn-1-amine (CID 81401770) is 3-phenyl-N-[(1R)-1-pyridin-2-ylethyl]prop-2-yn-1-amine.
What is the SMILES notation for 3-phenyl-N-[(1R)-1-pyridin-2-ylethyl]prop-2-yn-1-amine?
The canonical SMILES for 3-phenyl-N-[(1R)-1-pyridin-2-ylethyl]prop-2-yn-1-amine is C[C@@H](NCC#Cc1ccccc1)c1ccccn1.
What is the InChIKey of 3-phenyl-N-[(1R)-1-pyridin-2-ylethyl]prop-2-yn-1-amine?
The InChIKey is YLFGNXZBAPZFQQ-CQSZACIVSA-N. The full InChI is InChI=1S/C16H16N2/c1-14(16-11-5-6-12-18-16)17-13-7-10-15-8-3-2-4-9-15/h2-6,8-9,11-12,14,17H,13H2,1H3/t14-/m1/s1.
What are the key properties of 3-phenyl-N-[(1R)-1-pyridin-2-ylethyl]prop-2-yn-1-amine?
3-phenyl-N-[(1R)-1-pyridin-2-ylethyl]prop-2-yn-1-amine has a molecular weight of 236.32 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N-[(1R)-1-pyridin-2-ylethyl]prop-2-yn-1-amine is sourced from PubChem (CID 81401770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).