2-methyl-2-(phenylmethoxymethyl)-N-propan-2-ylbut-3-en-1-amine

C16H25NO — CID 102940664

IUPAC2-methyl-2-(phenylmethoxymethyl)-N-propan-2-ylbut-3-en-1-amine
SMILESC=CC(C)(CNC(C)C)COCc1ccccc1
InChIInChI=1S/C16H25NO/c1-5-16(4,12-17-14(2)3)13-18-11-15-9-7-6-8-10-15/h5-10,14,17H,1,11-13H2,2-4H3
InChIKeyLXTGVQXVCJQDOC-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.39
Rot. Bonds8

About 2-methyl-2-(phenylmethoxymethyl)-N-propan-2-ylbut-3-en-1-amine

2-methyl-2-(phenylmethoxymethyl)-N-propan-2-ylbut-3-en-1-amine (PubChem CID 102940664) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 2-methyl-2-(phenylmethoxymethyl)-N-propan-2-ylbut-3-en-1-amine.

Molecular Properties

Compound Name2-methyl-2-(phenylmethoxymethyl)-N-propan-2-ylbut-3-en-1-amine
PubChem CID102940664
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name2-methyl-2-(phenylmethoxymethyl)-N-propan-2-ylbut-3-en-1-amine
SMILESC=CC(C)(CNC(C)C)COCc1ccccc1
InChIInChI=1S/C16H25NO/c1-5-16(4,12-17-14(2)3)13-18-11-15-9-7-6-8-10-15/h5-10,14,17H,1,11-13H2,2-4H3
InChIKeyLXTGVQXVCJQDOC-UHFFFAOYSA-N
XLogP3.39
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.39
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-(ethoxymethyl)-2-methyl-N-propan-2-ylbut-3-en-1-amine
CID 102641012
N,2-dimethyl-2-(2-phenylmethoxyethyl)but-3-en-1-amine
CID 130537187
2-[(2-methoxyphenyl)methyl]-2-methyl-N-propan-2-ylbut-3-en-1-amine
CID 102640962
2,2-difluorobut-3-enoxymethylbenzene
CID 170548757
2-methyl-N-propan-2-yl-2-[(4-propan-2-ylphenyl)methyl]but-3-en-1-amine
CID 102640980
3-[(4-bromophenyl)methoxy]-2,2-dimethyl-N-propan-2-ylpropan-1-amine
CID 82831932
[2-ethenyl-2,4-diethyl-4-(phenylmethoxymethyl)hex-5-enoxy]methylbenzene
CID 11632573
(3S)-2,2-dimethyl-1-phenylmethoxyhex-5-en-3-ol
CID 53362755
2-fluoro-2-methyl-3-phenylmethoxypropanal
CID 14267601
2-(phenylmethoxymethyl)-N-propan-2-ylprop-2-en-1-amine
CID 103074338
(2R)-2-[(2S)-2-methyl-1-phenylmethoxybut-3-en-2-yl]oxirane
CID 11830926
2-(furan-2-ylmethyl)-2-methyl-N-propan-2-ylbut-3-en-1-amine
CID 102641014

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(phenylmethoxymethyl)-N-propan-2-ylbut-3-en-1-amine?
The IUPAC name of 2-methyl-2-(phenylmethoxymethyl)-N-propan-2-ylbut-3-en-1-amine (CID 102940664) is 2-methyl-2-(phenylmethoxymethyl)-N-propan-2-ylbut-3-en-1-amine.
What is the SMILES notation for 2-methyl-2-(phenylmethoxymethyl)-N-propan-2-ylbut-3-en-1-amine?
The canonical SMILES for 2-methyl-2-(phenylmethoxymethyl)-N-propan-2-ylbut-3-en-1-amine is C=CC(C)(CNC(C)C)COCc1ccccc1.
What is the InChIKey of 2-methyl-2-(phenylmethoxymethyl)-N-propan-2-ylbut-3-en-1-amine?
The InChIKey is LXTGVQXVCJQDOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-5-16(4,12-17-14(2)3)13-18-11-15-9-7-6-8-10-15/h5-10,14,17H,1,11-13H2,2-4H3.
What are the key properties of 2-methyl-2-(phenylmethoxymethyl)-N-propan-2-ylbut-3-en-1-amine?
2-methyl-2-(phenylmethoxymethyl)-N-propan-2-ylbut-3-en-1-amine has a molecular weight of 247.38 g/mol, XLogP of 3.39, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(phenylmethoxymethyl)-N-propan-2-ylbut-3-en-1-amine is sourced from PubChem (CID 102940664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).