3-methyl-N-(1-phenylmethoxypropan-2-yl)but-2-en-1-amine

C15H23NO — CID 131162694

IUPAC3-methyl-N-(1-phenylmethoxypropan-2-yl)but-2-en-1-amine
SMILESCC(C)=CCNC(C)COCc1ccccc1
InChIInChI=1S/C15H23NO/c1-13(2)9-10-16-14(3)11-17-12-15-7-5-4-6-8-15/h4-9,14,16H,10-12H2,1-3H3
InChIKeyLBKMGEVJMJHYCK-UHFFFAOYSA-N
MW233.36 g/mol
LogP3.15
Rot. Bonds7

About 3-methyl-N-(1-phenylmethoxypropan-2-yl)but-2-en-1-amine

3-methyl-N-(1-phenylmethoxypropan-2-yl)but-2-en-1-amine (PubChem CID 131162694) has the molecular formula C15H23NO and a molecular weight of 233.36 g/mol. Its IUPAC name is 3-methyl-N-(1-phenylmethoxypropan-2-yl)but-2-en-1-amine.

Molecular Properties

Compound Name3-methyl-N-(1-phenylmethoxypropan-2-yl)but-2-en-1-amine
PubChem CID131162694
Molecular FormulaC15H23NO
Molecular Weight233.36 g/mol
Exact Mass233.18
IUPAC Name3-methyl-N-(1-phenylmethoxypropan-2-yl)but-2-en-1-amine
SMILESCC(C)=CCNC(C)COCc1ccccc1
InChIInChI=1S/C15H23NO/c1-13(2)9-10-16-14(3)11-17-12-15-7-5-4-6-8-15/h4-9,14,16H,10-12H2,1-3H3
InChIKeyLBKMGEVJMJHYCK-UHFFFAOYSA-N
XLogP3.15
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 53.15
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

2-methoxy-N-(1-phenylmethoxypropan-2-yl)propan-1-amine
CID 130921291
1,1-difluoro-N-(1-phenylmethoxypropan-2-yl)propan-2-amine
CID 130950125
3-N-(1-phenylmethoxypropan-2-yl)butane-2,3-diamine
CID 130995877
(2S)-1-phenylmethoxypropan-2-ol;(2R)-1-phenylmethoxypropan-2-ol
CID 162240108
(E,2S,3R)-2,4-dimethyl-1-phenylmethoxyhex-4-en-3-ol
CID 164675342
ethyl 3-[[(2R)-1-phenylmethoxypropan-2-yl]amino]propanoate
CID 175699812
[(2R)-4,4-dibromo-2-methylbut-3-enoxy]methylbenzene
CID 124579108
N-(1,2-diphenylethyl)-3-methylbut-2-en-1-amine
CID 106179833
2-amino-N-(1-phenylmethoxypropan-2-yl)acetamide
CID 119335277
3,7-dimethyloct-6-enoxymethylbenzene
CID 11299598
4-phenylmethoxy-N-prop-2-enylbutan-2-amine
CID 130948211
3-methyl-N-(2-methyl-1-phenylpropyl)but-2-en-1-amine
CID 103605764

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(1-phenylmethoxypropan-2-yl)but-2-en-1-amine?
The IUPAC name of 3-methyl-N-(1-phenylmethoxypropan-2-yl)but-2-en-1-amine (CID 131162694) is 3-methyl-N-(1-phenylmethoxypropan-2-yl)but-2-en-1-amine.
What is the SMILES notation for 3-methyl-N-(1-phenylmethoxypropan-2-yl)but-2-en-1-amine?
The canonical SMILES for 3-methyl-N-(1-phenylmethoxypropan-2-yl)but-2-en-1-amine is CC(C)=CCNC(C)COCc1ccccc1.
What is the InChIKey of 3-methyl-N-(1-phenylmethoxypropan-2-yl)but-2-en-1-amine?
The InChIKey is LBKMGEVJMJHYCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-13(2)9-10-16-14(3)11-17-12-15-7-5-4-6-8-15/h4-9,14,16H,10-12H2,1-3H3.
What are the key properties of 3-methyl-N-(1-phenylmethoxypropan-2-yl)but-2-en-1-amine?
3-methyl-N-(1-phenylmethoxypropan-2-yl)but-2-en-1-amine has a molecular weight of 233.36 g/mol, XLogP of 3.15, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(1-phenylmethoxypropan-2-yl)but-2-en-1-amine is sourced from PubChem (CID 131162694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).