N-phenylmethoxyprop-2-en-1-amine

C10H13NO — CID 14227185

IUPACN-phenylmethoxyprop-2-en-1-amine
SMILESC=CCNOCc1ccccc1
InChIInChI=1S/C10H13NO/c1-2-8-11-12-9-10-6-4-3-5-7-10/h2-7,11H,1,8-9H2
InChIKeyKOIDVRRDBZTEMW-UHFFFAOYSA-N
MW163.22 g/mol
LogP1.89
Rot. Bonds5

About N-phenylmethoxyprop-2-en-1-amine

N-phenylmethoxyprop-2-en-1-amine (PubChem CID 14227185) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is N-phenylmethoxyprop-2-en-1-amine.

Molecular Properties

Compound NameN-phenylmethoxyprop-2-en-1-amine
PubChem CID14227185
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC NameN-phenylmethoxyprop-2-en-1-amine
SMILESC=CCNOCc1ccccc1
InChIInChI=1S/C10H13NO/c1-2-8-11-12-9-10-6-4-3-5-7-10/h2-7,11H,1,8-9H2
InChIKeyKOIDVRRDBZTEMW-UHFFFAOYSA-N
XLogP1.89
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-phenylmethoxyprop-2-en-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Benzyloxyamine hydrochloride
CID 102312
O-Benzylhydroxylamine
CID 102313
Benzyloxyurea
CID 231398
4-(Benzyloxy)butan-1-amine
CID 18322329
2-(Benzyloxy)ethanamine
CID 533868
(Benzyloxy)(methyl)amine
CID 13417387
2-(benzyloxyamino)-N-hydroxyacetamide
CID 44423683
N-(Phenylmethoxy)guanidine
CID 12812
(Benzyloxy)(ethyl)amine
CID 251744
(Benzyloxy)(pentyl)amine
CID 13736428
(Benzyloxy)(propyl)amine
CID 15366667
(Benzyloxy)(butyl)amine
CID 18361386

Frequently Asked Questions

What is the IUPAC name of N-phenylmethoxyprop-2-en-1-amine?
The IUPAC name of N-phenylmethoxyprop-2-en-1-amine (CID 14227185) is N-phenylmethoxyprop-2-en-1-amine.
What is the SMILES notation for N-phenylmethoxyprop-2-en-1-amine?
The canonical SMILES for N-phenylmethoxyprop-2-en-1-amine is C=CCNOCc1ccccc1.
What is the InChIKey of N-phenylmethoxyprop-2-en-1-amine?
The InChIKey is KOIDVRRDBZTEMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO/c1-2-8-11-12-9-10-6-4-3-5-7-10/h2-7,11H,1,8-9H2.
What are the key properties of N-phenylmethoxyprop-2-en-1-amine?
N-phenylmethoxyprop-2-en-1-amine has a molecular weight of 163.22 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenylmethoxyprop-2-en-1-amine is sourced from PubChem (CID 14227185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).