(E)-4-phenylmethoxypent-3-en-1-amine

C12H17NO — CID 166832926

IUPAC(E)-4-phenylmethoxypent-3-en-1-amine
SMILESC/C(=C\CCN)OCc1ccccc1
InChIInChI=1S/C12H17NO/c1-11(6-5-9-13)14-10-12-7-3-2-4-8-12/h2-4,6-8H,5,9-10,13H2,1H3/b11-6+
InChIKeyHYJXTSLHJYGZIM-IZZDOVSWSA-N
MW191.27 g/mol
LogP2.46
Rot. Bonds5

About (E)-4-phenylmethoxypent-3-en-1-amine

(E)-4-phenylmethoxypent-3-en-1-amine (PubChem CID 166832926) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is (E)-4-phenylmethoxypent-3-en-1-amine.

Molecular Properties

Compound Name(E)-4-phenylmethoxypent-3-en-1-amine
PubChem CID166832926
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name(E)-4-phenylmethoxypent-3-en-1-amine
SMILESC/C(=C\CCN)OCc1ccccc1
InChIInChI=1S/C12H17NO/c1-11(6-5-9-13)14-10-12-7-3-2-4-8-12/h2-4,6-8H,5,9-10,13H2,1H3/b11-6+
InChIKeyHYJXTSLHJYGZIM-IZZDOVSWSA-N
XLogP2.46
TPSA35.25 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 ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

(Z)-3-phenylmethoxybut-2-enoic acid
CID 101194164
3-phenylmethoxybut-2-en-2-yloxymethylbenzene
CID 86006666
benzyl acetate
CID 8785
O-benzyl ethanethioate;hydrochloride
CID 140957923
benzyl acetate;molecular nitrogen
CID 174861862
benzyl acetate;carbamic acid
CID 159542161
benzyl 2-methyl-4-phenylbut-2-enoate
CID 56992383
4-methylpenta-1,3-dien-2-yloxymethylbenzene
CID 143601127
(2E,4E)-2-ethenyl-5-phenylmethoxyhexa-2,4-dienal
CID 89233622
benzyl 4-chloro-2-methylbut-2-enoate
CID 85204494
benzyl (Z)-4-fluoropent-3-enoate
CID 102299153
benzyl carbamate;heptahydrochloride
CID 141351835

Frequently Asked Questions

What is the IUPAC name of (E)-4-phenylmethoxypent-3-en-1-amine?
The IUPAC name of (E)-4-phenylmethoxypent-3-en-1-amine (CID 166832926) is (E)-4-phenylmethoxypent-3-en-1-amine.
What is the SMILES notation for (E)-4-phenylmethoxypent-3-en-1-amine?
The canonical SMILES for (E)-4-phenylmethoxypent-3-en-1-amine is C/C(=C\CCN)OCc1ccccc1.
What is the InChIKey of (E)-4-phenylmethoxypent-3-en-1-amine?
The InChIKey is HYJXTSLHJYGZIM-IZZDOVSWSA-N. The full InChI is InChI=1S/C12H17NO/c1-11(6-5-9-13)14-10-12-7-3-2-4-8-12/h2-4,6-8H,5,9-10,13H2,1H3/b11-6+.
What are the key properties of (E)-4-phenylmethoxypent-3-en-1-amine?
(E)-4-phenylmethoxypent-3-en-1-amine has a molecular weight of 191.27 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-phenylmethoxypent-3-en-1-amine is sourced from PubChem (CID 166832926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).