2-methyl-N-phenylmethoxybut-3-en-2-amine

C12H17NO — CID 101441641

IUPAC2-methyl-N-phenylmethoxybut-3-en-2-amine
SMILESC=CC(C)(C)NOCc1ccccc1
InChIInChI=1S/C12H17NO/c1-4-12(2,3)13-14-10-11-8-6-5-7-9-11/h4-9,13H,1,10H2,2-3H3
InChIKeyIIIHTDWIFTWGIT-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.67
Rot. Bonds5

About 2-methyl-N-phenylmethoxybut-3-en-2-amine

2-methyl-N-phenylmethoxybut-3-en-2-amine (PubChem CID 101441641) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 2-methyl-N-phenylmethoxybut-3-en-2-amine.

Molecular Properties

Compound Name2-methyl-N-phenylmethoxybut-3-en-2-amine
PubChem CID101441641
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name2-methyl-N-phenylmethoxybut-3-en-2-amine
SMILESC=CC(C)(C)NOCc1ccccc1
InChIInChI=1S/C12H17NO/c1-4-12(2,3)13-14-10-11-8-6-5-7-9-11/h4-9,13H,1,10H2,2-3H3
InChIKeyIIIHTDWIFTWGIT-UHFFFAOYSA-N
XLogP2.67
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

carbon monoxide;chromium;2-methylbut-3-en-2-yloxymethylbenzene
CID 135050161
ethane;ethenoxymethylbenzene
CID 144676673
2-methoxy-2-methyl-N-phenylmethoxypropan-1-amine
CID 130611916
(2R)-2-methyl-2-(phenylmethoxyamino)hexanoic acid
CID 142647385
N,2-dimethyl-2-(2-phenylmethoxyethyl)but-3-en-1-amine
CID 130537187
benzyl 3,3-dimethylpent-4-enoate
CID 13236797
ethenoxymethylbenzene
CID 11116115
2-methyl-2-(phenylmethoxymethyl)-N-propan-2-ylbut-3-en-1-amine
CID 102940664
N'-(1-amino-2-methylpropan-2-yl)-N-phenylmethoxymethanimidamide
CID 102398276
(Z)-4,4-dimethyl-1-(phenylmethoxyamino)pent-1-en-3-one
CID 10243078
3,3-dimethyl-1-(phenylmethoxyamino)butan-2-ol
CID 130501755
2-chloro-2-methyl-N-phenylmethoxypropanamide
CID 141458556

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-phenylmethoxybut-3-en-2-amine?
The IUPAC name of 2-methyl-N-phenylmethoxybut-3-en-2-amine (CID 101441641) is 2-methyl-N-phenylmethoxybut-3-en-2-amine.
What is the SMILES notation for 2-methyl-N-phenylmethoxybut-3-en-2-amine?
The canonical SMILES for 2-methyl-N-phenylmethoxybut-3-en-2-amine is C=CC(C)(C)NOCc1ccccc1.
What is the InChIKey of 2-methyl-N-phenylmethoxybut-3-en-2-amine?
The InChIKey is IIIHTDWIFTWGIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-4-12(2,3)13-14-10-11-8-6-5-7-9-11/h4-9,13H,1,10H2,2-3H3.
What are the key properties of 2-methyl-N-phenylmethoxybut-3-en-2-amine?
2-methyl-N-phenylmethoxybut-3-en-2-amine has a molecular weight of 191.27 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-phenylmethoxybut-3-en-2-amine is sourced from PubChem (CID 101441641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).