N-methoxy-1-phenylpent-1-en-1-amine

C12H17NO — CID 91144897

IUPACN-methoxy-1-phenylpent-1-en-1-amine
SMILESCCCC=C(NOC)c1ccccc1
InChIInChI=1S/C12H17NO/c1-3-4-10-12(13-14-2)11-8-6-5-7-9-11/h5-10,13H,3-4H2,1-2H3
InChIKeySOATVOVTQJZIGW-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.98
Rot. Bonds5

About N-methoxy-1-phenylpent-1-en-1-amine

N-methoxy-1-phenylpent-1-en-1-amine (PubChem CID 91144897) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is N-methoxy-1-phenylpent-1-en-1-amine.

Molecular Properties

Compound NameN-methoxy-1-phenylpent-1-en-1-amine
PubChem CID91144897
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC NameN-methoxy-1-phenylpent-1-en-1-amine
SMILESCCCC=C(NOC)c1ccccc1
InChIInChI=1S/C12H17NO/c1-3-4-10-12(13-14-2)11-8-6-5-7-9-11/h5-10,13H,3-4H2,1-2H3
InChIKeySOATVOVTQJZIGW-UHFFFAOYSA-N
XLogP2.98
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 ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(Z)-1-phenylpent-1-en-1-amine
CID 22065568
2-phenoxy-N'-(1-phenylpent-1-enyl)acetohydrazide
CID 5086970
(Z)-1-(4-fluorophenyl)-4-iodo-N-methoxybut-1-en-1-amine
CID 123279958
2-phenylhex-2-enal
CID 3023641
N-methoxy-1-[4-(methoxymethyl)phenyl]but-1-en-1-amine
CID 90763048
3-bromo-N'-[(Z)-1-phenylpent-1-enyl]benzohydrazide
CID 2177317
1-methoxybut-1-enylbenzene
CID 69305429
1-N,3-N,5-N-trimethoxy-1,5-diphenylpenta-1,2,4-triene-1,3,5-triamine
CID 123331512
ethyl 2-benzamidohex-2-enoate
CID 54135301
methyl N-(1-phenylbut-1-enyl)carbamate
CID 131886313
4-(1-phenylpent-1-enyl)phenol
CID 57219514
(Z)-2-phenylhex-2-enenitrile
CID 5463415

Frequently Asked Questions

What is the IUPAC name of N-methoxy-1-phenylpent-1-en-1-amine?
The IUPAC name of N-methoxy-1-phenylpent-1-en-1-amine (CID 91144897) is N-methoxy-1-phenylpent-1-en-1-amine.
What is the SMILES notation for N-methoxy-1-phenylpent-1-en-1-amine?
The canonical SMILES for N-methoxy-1-phenylpent-1-en-1-amine is CCCC=C(NOC)c1ccccc1.
What is the InChIKey of N-methoxy-1-phenylpent-1-en-1-amine?
The InChIKey is SOATVOVTQJZIGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-3-4-10-12(13-14-2)11-8-6-5-7-9-11/h5-10,13H,3-4H2,1-2H3.
What are the key properties of N-methoxy-1-phenylpent-1-en-1-amine?
N-methoxy-1-phenylpent-1-en-1-amine has a molecular weight of 191.27 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-1-phenylpent-1-en-1-amine is sourced from PubChem (CID 91144897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).