N-ethyl-3-phenylbut-3-en-2-amine

C12H17N — CID 11480759

IUPACN-ethyl-3-phenylbut-3-en-2-amine
SMILESC=C(c1ccccc1)C(C)NCC
InChIInChI=1S/C12H17N/c1-4-13-11(3)10(2)12-8-6-5-7-9-12/h5-9,11,13H,2,4H2,1,3H3
InChIKeyBVQNEQHLKDRGTN-UHFFFAOYSA-N
MW175.27 g/mol
LogP2.70
Rot. Bonds4

About N-ethyl-3-phenylbut-3-en-2-amine

N-ethyl-3-phenylbut-3-en-2-amine (PubChem CID 11480759) has the molecular formula C12H17N and a molecular weight of 175.27 g/mol. Its IUPAC name is N-ethyl-3-phenylbut-3-en-2-amine.

Molecular Properties

Compound NameN-ethyl-3-phenylbut-3-en-2-amine
PubChem CID11480759
Molecular FormulaC12H17N
Molecular Weight175.27 g/mol
Exact Mass175.14
IUPAC NameN-ethyl-3-phenylbut-3-en-2-amine
SMILESC=C(c1ccccc1)C(C)NCC
InChIInChI=1S/C12H17N/c1-4-13-11(3)10(2)12-8-6-5-7-9-12/h5-9,11,13H,2,4H2,1,3H3
InChIKeyBVQNEQHLKDRGTN-UHFFFAOYSA-N
XLogP2.70
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.27
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2-phenylprop-2-enyl)butan-2-amine
CID 81332865
3-hydroperoxypent-1-en-2-ylbenzene
CID 155931439
(2S)-N-ethyl-3-methylbut-3-en-2-amine
CID 89198318
3-ethyl-N-(2-phenylprop-2-enyl)pentan-2-amine
CID 113288163
[(2S)-2-(ethylamino)propyl] benzoate
CID 90069288
N-butan-2-yl-3-phenylbut-3-en-1-amine
CID 70499013
2-methyl-3-phenylbut-3-enal
CID 22151894
3-methyl-4-phenylpent-4-en-2-one
CID 130028619
methyl 2-(2-phenylprop-2-enylamino)propanoate
CID 115328198
3,3-dichloroprop-1-en-2-ylbenzene
CID 139684533
1-(ethylamino)-1-phenylpropan-2-ol
CID 140512307
ethyl (2R,3R)-2-hydroxy-3-methyl-4-phenylpent-4-enoate
CID 122375941

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-phenylbut-3-en-2-amine?
The IUPAC name of N-ethyl-3-phenylbut-3-en-2-amine (CID 11480759) is N-ethyl-3-phenylbut-3-en-2-amine.
What is the SMILES notation for N-ethyl-3-phenylbut-3-en-2-amine?
The canonical SMILES for N-ethyl-3-phenylbut-3-en-2-amine is C=C(c1ccccc1)C(C)NCC.
What is the InChIKey of N-ethyl-3-phenylbut-3-en-2-amine?
The InChIKey is BVQNEQHLKDRGTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N/c1-4-13-11(3)10(2)12-8-6-5-7-9-12/h5-9,11,13H,2,4H2,1,3H3.
What are the key properties of N-ethyl-3-phenylbut-3-en-2-amine?
N-ethyl-3-phenylbut-3-en-2-amine has a molecular weight of 175.27 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-phenylbut-3-en-2-amine is sourced from PubChem (CID 11480759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).