2-phenylprop-2-en-1-amine;propane

C12H19N — CID 143101756

IUPAC2-phenylprop-2-en-1-amine;propane
SMILESC=C(CN)c1ccccc1.CCC
InChIInChI=1S/C9H11N.C3H8/c1-8(7-10)9-5-3-2-4-6-9;1-3-2/h2-6H,1,7,10H2;3H2,1-2H3
InChIKeyBQHMEAAJGQQXAF-UHFFFAOYSA-N
MW177.29 g/mol
LogP3.07
Rot. Bonds2

About 2-phenylprop-2-en-1-amine;propane

2-phenylprop-2-en-1-amine;propane (PubChem CID 143101756) has the molecular formula C12H19N and a molecular weight of 177.29 g/mol. Its IUPAC name is 2-phenylprop-2-en-1-amine;propane.

Molecular Properties

Compound Name2-phenylprop-2-en-1-amine;propane
PubChem CID143101756
Molecular FormulaC12H19N
Molecular Weight177.29 g/mol
Exact Mass177.15
IUPAC Name2-phenylprop-2-en-1-amine;propane
SMILESC=C(CN)c1ccccc1.CCC
InChIInChI=1S/C9H11N.C3H8/c1-8(7-10)9-5-3-2-4-6-9;1-3-2/h2-6H,1,7,10H2;3H2,1-2H3
InChIKeyBQHMEAAJGQQXAF-UHFFFAOYSA-N
XLogP3.07
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

pent-1-en-2-ylbenzene
CID 521761
methane;propane;prop-1-en-2-ylbenzene
CID 145329923
1-ethyl-2-(2-phenylprop-2-enyl)benzene
CID 18968382
N-(2-phenylprop-2-enyl)butan-2-amine
CID 81332865
trimethyl(2-phenylprop-2-enyl)azanium
CID 10901234
3-ethyl-N-(2-phenylprop-2-enyl)pentan-2-amine
CID 113288163
ethyl (2R)-2-hydroxy-4-phenylpent-4-enoate
CID 11020407
hex-1-en-2-ylbenzene;propan-2-one
CID 142095367
1-(2-phenylprop-2-enyl)-4-propylbenzene
CID 57162599
but-1-en-2-ylbenzene;prop-2-enenitrile
CID 160693211
5-methylhept-1-en-2-ylbenzene
CID 90870775
1-amino-3-phenylbut-3-ene-1-thiol
CID 155217883

Frequently Asked Questions

What is the IUPAC name of 2-phenylprop-2-en-1-amine;propane?
The IUPAC name of 2-phenylprop-2-en-1-amine;propane (CID 143101756) is 2-phenylprop-2-en-1-amine;propane.
What is the SMILES notation for 2-phenylprop-2-en-1-amine;propane?
The canonical SMILES for 2-phenylprop-2-en-1-amine;propane is C=C(CN)c1ccccc1.CCC.
What is the InChIKey of 2-phenylprop-2-en-1-amine;propane?
The InChIKey is BQHMEAAJGQQXAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N.C3H8/c1-8(7-10)9-5-3-2-4-6-9;1-3-2/h2-6H,1,7,10H2;3H2,1-2H3.
What are the key properties of 2-phenylprop-2-en-1-amine;propane?
2-phenylprop-2-en-1-amine;propane has a molecular weight of 177.29 g/mol, XLogP of 3.07, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylprop-2-en-1-amine;propane is sourced from PubChem (CID 143101756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).