2-methyl-N-[(2-propan-2-yloxyphenyl)methyl]prop-2-en-1-amine

C14H21NO — CID 114615444

IUPAC2-methyl-N-[(2-propan-2-yloxyphenyl)methyl]prop-2-en-1-amine
SMILESC=C(C)CNCc1ccccc1OC(C)C
InChIInChI=1S/C14H21NO/c1-11(2)9-15-10-13-7-5-6-8-14(13)16-12(3)4/h5-8,12,15H,1,9-10H2,2-4H3
InChIKeyBVWPSFGCZRBZFX-UHFFFAOYSA-N
MW219.33 g/mol
LogP3.14
Rot. Bonds6

About 2-methyl-N-[(2-propan-2-yloxyphenyl)methyl]prop-2-en-1-amine

2-methyl-N-[(2-propan-2-yloxyphenyl)methyl]prop-2-en-1-amine (PubChem CID 114615444) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 2-methyl-N-[(2-propan-2-yloxyphenyl)methyl]prop-2-en-1-amine.

Molecular Properties

Compound Name2-methyl-N-[(2-propan-2-yloxyphenyl)methyl]prop-2-en-1-amine
PubChem CID114615444
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name2-methyl-N-[(2-propan-2-yloxyphenyl)methyl]prop-2-en-1-amine
SMILESC=C(C)CNCc1ccccc1OC(C)C
InChIInChI=1S/C14H21NO/c1-11(2)9-15-10-13-7-5-6-8-14(13)16-12(3)4/h5-8,12,15H,1,9-10H2,2-4H3
InChIKeyBVWPSFGCZRBZFX-UHFFFAOYSA-N
XLogP3.14
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 ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S)-1-[(2-propan-2-yloxyphenyl)methylamino]propan-2-ol
CID 51675528
N-(2-methylpropyl)-2-[(2-propan-2-yloxyphenyl)methylamino]acetamide
CID 115621831
3-phenyl-N-[(2-propan-2-yloxyphenyl)methyl]propan-1-amine
CID 43220682
3-fluoro-N-[(2-propan-2-yloxyphenyl)methyl]propan-1-amine
CID 115733033
2-phenyl-N-[(2-propan-2-yloxyphenyl)methyl]propan-1-amine
CID 43221119
1-(4-methylcyclohexyl)-N-[(2-propan-2-yloxyphenyl)methyl]methanamine
CID 63462925
2-methyl-5-[(2-propan-2-yloxyphenyl)methylamino]pentan-1-ol
CID 103859618
(2S)-3-methyl-2-[(2-propan-2-yloxyphenyl)methylamino]butan-1-ol
CID 79254170
1-(2-propan-2-yloxyphenyl)-N-(pyridin-2-ylmethyl)methanamine
CID 39358305
N-ethoxy-1-(2-propan-2-yloxyphenyl)methanamine
CID 78977002
N-[[2-[(2R)-butan-2-yl]oxyphenyl]methyl]ethanamine
CID 92983672
(2S)-2-amino-N-[(2-propan-2-yloxyphenyl)methyl]propanamide
CID 83294447

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(2-propan-2-yloxyphenyl)methyl]prop-2-en-1-amine?
The IUPAC name of 2-methyl-N-[(2-propan-2-yloxyphenyl)methyl]prop-2-en-1-amine (CID 114615444) is 2-methyl-N-[(2-propan-2-yloxyphenyl)methyl]prop-2-en-1-amine.
What is the SMILES notation for 2-methyl-N-[(2-propan-2-yloxyphenyl)methyl]prop-2-en-1-amine?
The canonical SMILES for 2-methyl-N-[(2-propan-2-yloxyphenyl)methyl]prop-2-en-1-amine is C=C(C)CNCc1ccccc1OC(C)C.
What is the InChIKey of 2-methyl-N-[(2-propan-2-yloxyphenyl)methyl]prop-2-en-1-amine?
The InChIKey is BVWPSFGCZRBZFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-11(2)9-15-10-13-7-5-6-8-14(13)16-12(3)4/h5-8,12,15H,1,9-10H2,2-4H3.
What are the key properties of 2-methyl-N-[(2-propan-2-yloxyphenyl)methyl]prop-2-en-1-amine?
2-methyl-N-[(2-propan-2-yloxyphenyl)methyl]prop-2-en-1-amine has a molecular weight of 219.33 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(2-propan-2-yloxyphenyl)methyl]prop-2-en-1-amine is sourced from PubChem (CID 114615444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).