(E)-4-[4-(methoxymethyl)phenyl]-N,3-dimethylbut-3-en-2-amine

C14H21NO — CID 103093159

IUPAC(E)-4-[4-(methoxymethyl)phenyl]-N,3-dimethylbut-3-en-2-amine
SMILESCNC(C)/C(C)=C/c1ccc(COC)cc1
InChIInChI=1S/C14H21NO/c1-11(12(2)15-3)9-13-5-7-14(8-6-13)10-16-4/h5-9,12,15H,10H2,1-4H3/b11-9+
InChIKeyRBKBAPJQCGWPLV-PKNBQFBNSA-N
MW219.33 g/mol
LogP2.84
Rot. Bonds5

About (E)-4-[4-(methoxymethyl)phenyl]-N,3-dimethylbut-3-en-2-amine

(E)-4-[4-(methoxymethyl)phenyl]-N,3-dimethylbut-3-en-2-amine (PubChem CID 103093159) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is (E)-4-[4-(methoxymethyl)phenyl]-N,3-dimethylbut-3-en-2-amine.

Molecular Properties

Compound Name(E)-4-[4-(methoxymethyl)phenyl]-N,3-dimethylbut-3-en-2-amine
PubChem CID103093159
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name(E)-4-[4-(methoxymethyl)phenyl]-N,3-dimethylbut-3-en-2-amine
SMILESCNC(C)/C(C)=C/c1ccc(COC)cc1
InChIInChI=1S/C14H21NO/c1-11(12(2)15-3)9-13-5-7-14(8-6-13)10-16-4/h5-9,12,15H,10H2,1-4H3/b11-9+
InChIKeyRBKBAPJQCGWPLV-PKNBQFBNSA-N
XLogP2.84
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 296020
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1-(4-Methoxymethylphenyl)ethylamine
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4-Methylphenmetrazine
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1-benzyloxy-N-ethyl-hexadecan-2-amine
CID 44322501
N-Methyl-2-benzyloxyethylamine
CID 268107
(1S,2R)-1-methoxy-N-methyl-1-phenylpropan-2-amine
CID 6711303
4-(Benzyloxy)butan-2-amine
CID 11194670
(2S)-1-(benzyloxy)propan-2-amine
CID 12815225
2-[(Benzyloxy)methyl]piperidine
CID 14449341

Frequently Asked Questions

What is the IUPAC name of (E)-4-[4-(methoxymethyl)phenyl]-N,3-dimethylbut-3-en-2-amine?
The IUPAC name of (E)-4-[4-(methoxymethyl)phenyl]-N,3-dimethylbut-3-en-2-amine (CID 103093159) is (E)-4-[4-(methoxymethyl)phenyl]-N,3-dimethylbut-3-en-2-amine.
What is the SMILES notation for (E)-4-[4-(methoxymethyl)phenyl]-N,3-dimethylbut-3-en-2-amine?
The canonical SMILES for (E)-4-[4-(methoxymethyl)phenyl]-N,3-dimethylbut-3-en-2-amine is CNC(C)/C(C)=C/c1ccc(COC)cc1.
What is the InChIKey of (E)-4-[4-(methoxymethyl)phenyl]-N,3-dimethylbut-3-en-2-amine?
The InChIKey is RBKBAPJQCGWPLV-PKNBQFBNSA-N. The full InChI is InChI=1S/C14H21NO/c1-11(12(2)15-3)9-13-5-7-14(8-6-13)10-16-4/h5-9,12,15H,10H2,1-4H3/b11-9+.
What are the key properties of (E)-4-[4-(methoxymethyl)phenyl]-N,3-dimethylbut-3-en-2-amine?
(E)-4-[4-(methoxymethyl)phenyl]-N,3-dimethylbut-3-en-2-amine has a molecular weight of 219.33 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-[4-(methoxymethyl)phenyl]-N,3-dimethylbut-3-en-2-amine is sourced from PubChem (CID 103093159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).