N-methyl-3-phenoxypropan-1-amine

C10H15NO — CID 22067856

IUPACN-methyl-3-phenoxypropan-1-amine
SMILESCNCCCOc1ccccc1
InChIInChI=1S/C10H15NO/c1-11-8-5-9-12-10-6-3-2-4-7-10/h2-4,6-7,11H,5,8-9H2,1H3
InChIKeySBOUHGZVYFYWMK-UHFFFAOYSA-N
MW165.24 g/mol
LogP1.67
Rot. Bonds5

About N-methyl-3-phenoxypropan-1-amine

N-methyl-3-phenoxypropan-1-amine (PubChem CID 22067856) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is N-methyl-3-phenoxypropan-1-amine.

Molecular Properties

Compound NameN-methyl-3-phenoxypropan-1-amine
PubChem CID22067856
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC NameN-methyl-3-phenoxypropan-1-amine
SMILESCNCCCOc1ccccc1
InChIInChI=1S/C10H15NO/c1-11-8-5-9-12-10-6-3-2-4-7-10/h2-4,6-7,11H,5,8-9H2,1H3
InChIKeySBOUHGZVYFYWMK-UHFFFAOYSA-N
XLogP1.67
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-phenoxy-N-(3-phenoxypropyl)propan-1-amine;hydrochloride
CID 18793133
N-methyl-2-[4-(3-phenoxypropyl)piperazin-1-yl]ethanamine
CID 19018032
N-[2-(4-methylphenoxy)ethyl]-2-phenoxyethanamine;hydrochloride
CID 18793114
N-(2-phenoxyethoxy)methanamine
CID 117126931
2-(methylamino)ethanol;4-phenoxybutanal
CID 163225392
5-(4-methoxyphenoxy)-N-methylpentan-1-amine
CID 62458714
1,1-dimethyl-2-(2-phenoxyethyl)hydrazine
CID 83013936
N-(2-phenoxyethyl)propan-1-amine
CID 6453152
7-methyl-N-(3-phenoxypropyl)octan-1-amine
CID 103604921
2,4-dimethyl-N-(3-phenoxypropyl)pentan-3-amine
CID 112743218
N-methyl-4-pyridin-4-yloxybutan-1-amine
CID 174683460
5-(4-chlorophenoxy)-N-methylpentan-1-amine
CID 62454431

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-phenoxypropan-1-amine?
The IUPAC name of N-methyl-3-phenoxypropan-1-amine (CID 22067856) is N-methyl-3-phenoxypropan-1-amine.
What is the SMILES notation for N-methyl-3-phenoxypropan-1-amine?
The canonical SMILES for N-methyl-3-phenoxypropan-1-amine is CNCCCOc1ccccc1.
What is the InChIKey of N-methyl-3-phenoxypropan-1-amine?
The InChIKey is SBOUHGZVYFYWMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c1-11-8-5-9-12-10-6-3-2-4-7-10/h2-4,6-7,11H,5,8-9H2,1H3.
What are the key properties of N-methyl-3-phenoxypropan-1-amine?
N-methyl-3-phenoxypropan-1-amine has a molecular weight of 165.24 g/mol, XLogP of 1.67, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-phenoxypropan-1-amine is sourced from PubChem (CID 22067856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).