N-phenoxypropan-1-amine

C9H13NO — CID 19907819

IUPACN-phenoxypropan-1-amine
SMILESCCCNOc1ccccc1
InChIInChI=1S/C9H13NO/c1-2-8-10-11-9-6-4-3-5-7-9/h3-7,10H,2,8H2,1H3
InChIKeyMSROGRBMHWJLSB-UHFFFAOYSA-N
MW151.21 g/mol
LogP1.98
Rot. Bonds4

About N-phenoxypropan-1-amine

N-phenoxypropan-1-amine (PubChem CID 19907819) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is N-phenoxypropan-1-amine.

Molecular Properties

Compound NameN-phenoxypropan-1-amine
PubChem CID19907819
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC NameN-phenoxypropan-1-amine
SMILESCCCNOc1ccccc1
InChIInChI=1S/C9H13NO/c1-2-8-10-11-9-6-4-3-5-7-9/h3-7,10H,2,8H2,1H3
InChIKeyMSROGRBMHWJLSB-UHFFFAOYSA-N
XLogP1.98
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-phenoxypropan-1-amine?
The IUPAC name of N-phenoxypropan-1-amine (CID 19907819) is N-phenoxypropan-1-amine.
What is the SMILES notation for N-phenoxypropan-1-amine?
The canonical SMILES for N-phenoxypropan-1-amine is CCCNOc1ccccc1.
What is the InChIKey of N-phenoxypropan-1-amine?
The InChIKey is MSROGRBMHWJLSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO/c1-2-8-10-11-9-6-4-3-5-7-9/h3-7,10H,2,8H2,1H3.
What are the key properties of N-phenoxypropan-1-amine?
N-phenoxypropan-1-amine has a molecular weight of 151.21 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenoxypropan-1-amine is sourced from PubChem (CID 19907819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).