2-(phenylmethoxymethyl)-N-propan-2-ylprop-2-en-1-amine

C14H21NO — CID 103074338

IUPAC2-(phenylmethoxymethyl)-N-propan-2-ylprop-2-en-1-amine
SMILESC=C(CNC(C)C)COCc1ccccc1
InChIInChI=1S/C14H21NO/c1-12(2)15-9-13(3)10-16-11-14-7-5-4-6-8-14/h4-8,12,15H,3,9-11H2,1-2H3
InChIKeyCFTNMQUTRDPMKA-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.76
Rot. Bonds7

About 2-(phenylmethoxymethyl)-N-propan-2-ylprop-2-en-1-amine

2-(phenylmethoxymethyl)-N-propan-2-ylprop-2-en-1-amine (PubChem CID 103074338) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 2-(phenylmethoxymethyl)-N-propan-2-ylprop-2-en-1-amine.

Molecular Properties

Compound Name2-(phenylmethoxymethyl)-N-propan-2-ylprop-2-en-1-amine
PubChem CID103074338
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name2-(phenylmethoxymethyl)-N-propan-2-ylprop-2-en-1-amine
SMILESC=C(CNC(C)C)COCc1ccccc1
InChIInChI=1S/C14H21NO/c1-12(2)15-9-13(3)10-16-11-14-7-5-4-6-8-14/h4-8,12,15H,3,9-11H2,1-2H3
InChIKeyCFTNMQUTRDPMKA-UHFFFAOYSA-N
XLogP2.76
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.76
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

(2R)-2-[2-(phenylmethoxymethyl)prop-2-enylamino]but-3-en-1-ol
CID 25105110
2-(benzylsulfanylmethyl)-N-propan-2-ylprop-2-en-1-amine
CID 103068224
3-methyl-1-phenylmethoxybutan-2-one
CID 22953611
4-methylidene-1-phenylmethoxyheptan-2-one
CID 163622001
(Z)-but-2-enedioic acid;1-phenylmethoxy-3-(propan-2-ylamino)propan-2-ol
CID 20840550
2-methylidenebut-3-enoxymethylbenzene
CID 11275317
1-(methylamino)-3-phenylmethoxypropan-2-one
CID 143048834
(2S)-1-phenylmethoxypropan-2-ol;(2R)-1-phenylmethoxypropan-2-ol
CID 162240108
N-methylmethanamine;phenylmethoxymethylbenzene
CID 70181699
2-(phenylmethoxymethyl)prop-2-enyl 3-phenylprop-2-ynoate
CID 42624934
2-methyl-2-(phenylmethoxymethyl)-N-propan-2-ylbut-3-en-1-amine
CID 102940664
N-[(2S)-butan-2-yl]-2-phenylmethoxyacetamide
CID 95358537

Frequently Asked Questions

What is the IUPAC name of 2-(phenylmethoxymethyl)-N-propan-2-ylprop-2-en-1-amine?
The IUPAC name of 2-(phenylmethoxymethyl)-N-propan-2-ylprop-2-en-1-amine (CID 103074338) is 2-(phenylmethoxymethyl)-N-propan-2-ylprop-2-en-1-amine.
What is the SMILES notation for 2-(phenylmethoxymethyl)-N-propan-2-ylprop-2-en-1-amine?
The canonical SMILES for 2-(phenylmethoxymethyl)-N-propan-2-ylprop-2-en-1-amine is C=C(CNC(C)C)COCc1ccccc1.
What is the InChIKey of 2-(phenylmethoxymethyl)-N-propan-2-ylprop-2-en-1-amine?
The InChIKey is CFTNMQUTRDPMKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-12(2)15-9-13(3)10-16-11-14-7-5-4-6-8-14/h4-8,12,15H,3,9-11H2,1-2H3.
What are the key properties of 2-(phenylmethoxymethyl)-N-propan-2-ylprop-2-en-1-amine?
2-(phenylmethoxymethyl)-N-propan-2-ylprop-2-en-1-amine has a molecular weight of 219.33 g/mol, XLogP of 2.76, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(phenylmethoxymethyl)-N-propan-2-ylprop-2-en-1-amine is sourced from PubChem (CID 103074338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).