N-[3-(2-methoxyphenyl)prop-2-enyl]butan-2-amine

C14H21NO — CID 4542946

IUPACN-[3-(2-methoxyphenyl)prop-2-enyl]butan-2-amine
SMILESCCC(C)NCC=Cc1ccccc1OC
InChIInChI=1S/C14H21NO/c1-4-12(2)15-11-7-9-13-8-5-6-10-14(13)16-3/h5-10,12,15H,4,11H2,1-3H3
InChIKeyQWWJFMOLVOUAJL-UHFFFAOYSA-N
MW219.33 g/mol
LogP3.10
Rot. Bonds6

About N-[3-(2-methoxyphenyl)prop-2-enyl]butan-2-amine

N-[3-(2-methoxyphenyl)prop-2-enyl]butan-2-amine (PubChem CID 4542946) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is N-[3-(2-methoxyphenyl)prop-2-enyl]butan-2-amine.

Molecular Properties

Compound NameN-[3-(2-methoxyphenyl)prop-2-enyl]butan-2-amine
PubChem CID4542946
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC NameN-[3-(2-methoxyphenyl)prop-2-enyl]butan-2-amine
SMILESCCC(C)NCC=Cc1ccccc1OC
InChIInChI=1S/C14H21NO/c1-4-12(2)15-11-7-9-13-8-5-6-10-14(13)16-3/h5-10,12,15H,4,11H2,1-3H3
InChIKeyQWWJFMOLVOUAJL-UHFFFAOYSA-N
XLogP3.10
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[tert-butyl(dimethyl)silyl]oxy-N-[(E)-3-(2-methoxyphenyl)prop-2-enyl]propan-2-amine
CID 142701134
1-[[(E)-3-(2-methoxyphenyl)prop-2-enyl]amino]-3-methylpentan-2-ol
CID 111119048
(2S)-N-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-1-(4-methylpyrazol-1-yl)propan-2-amine
CID 95290661
2-[[(E)-3-(2-methoxyphenyl)prop-2-enyl]amino]pentanoic acid
CID 120509471
(Z)-3-(2-methoxyphenyl)-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]prop-2-en-1-amine
CID 98474954
N-[3-(2-methoxyphenyl)prop-2-enyl]acetamide
CID 169465048
N-(2-methoxyethyl)-3-(2-methoxyphenyl)prop-2-en-1-amine
CID 78918220
(E)-3-(2-methoxyphenyl)prop-2-en-1-ol
CID 11400969
1-methoxy-2-[(1E,5E)-3,3,4,4-tetradeuterio-6-(2-methoxyphenyl)hexa-1,5-dienyl]benzene
CID 10709219
(E)-4-(2-methoxyphenyl)-N-propylbut-3-en-2-amine
CID 103092844
(E)-N-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(2-methoxyphenyl)prop-2-en-1-amine
CID 119138665
1-methoxy-2-[(E)-3-phenoxyprop-1-enyl]benzene
CID 67215541

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methoxyphenyl)prop-2-enyl]butan-2-amine?
The IUPAC name of N-[3-(2-methoxyphenyl)prop-2-enyl]butan-2-amine (CID 4542946) is N-[3-(2-methoxyphenyl)prop-2-enyl]butan-2-amine.
What is the SMILES notation for N-[3-(2-methoxyphenyl)prop-2-enyl]butan-2-amine?
The canonical SMILES for N-[3-(2-methoxyphenyl)prop-2-enyl]butan-2-amine is CCC(C)NCC=Cc1ccccc1OC.
What is the InChIKey of N-[3-(2-methoxyphenyl)prop-2-enyl]butan-2-amine?
The InChIKey is QWWJFMOLVOUAJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-4-12(2)15-11-7-9-13-8-5-6-10-14(13)16-3/h5-10,12,15H,4,11H2,1-3H3.
What are the key properties of N-[3-(2-methoxyphenyl)prop-2-enyl]butan-2-amine?
N-[3-(2-methoxyphenyl)prop-2-enyl]butan-2-amine has a molecular weight of 219.33 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methoxyphenyl)prop-2-enyl]butan-2-amine is sourced from PubChem (CID 4542946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).