N-phenylmethoxypentan-3-amine

C12H19NO — CID 15366668

IUPACN-phenylmethoxypentan-3-amine
SMILESCCC(CC)NOCc1ccccc1
InChIInChI=1S/C12H19NO/c1-3-12(4-2)13-14-10-11-8-6-5-7-9-11/h5-9,12-13H,3-4,10H2,1-2H3
InChIKeyKVQQACCDQYFLDI-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.90
Rot. Bonds6

About N-phenylmethoxypentan-3-amine

N-phenylmethoxypentan-3-amine (PubChem CID 15366668) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is N-phenylmethoxypentan-3-amine.

Molecular Properties

Compound NameN-phenylmethoxypentan-3-amine
PubChem CID15366668
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC NameN-phenylmethoxypentan-3-amine
SMILESCCC(CC)NOCc1ccccc1
InChIInChI=1S/C12H19NO/c1-3-12(4-2)13-14-10-11-8-6-5-7-9-11/h5-9,12-13H,3-4,10H2,1-2H3
InChIKeyKVQQACCDQYFLDI-UHFFFAOYSA-N
XLogP2.90
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.90
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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Frequently Asked Questions

What is the IUPAC name of N-phenylmethoxypentan-3-amine?
The IUPAC name of N-phenylmethoxypentan-3-amine (CID 15366668) is N-phenylmethoxypentan-3-amine.
What is the SMILES notation for N-phenylmethoxypentan-3-amine?
The canonical SMILES for N-phenylmethoxypentan-3-amine is CCC(CC)NOCc1ccccc1.
What is the InChIKey of N-phenylmethoxypentan-3-amine?
The InChIKey is KVQQACCDQYFLDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-3-12(4-2)13-14-10-11-8-6-5-7-9-11/h5-9,12-13H,3-4,10H2,1-2H3.
What are the key properties of N-phenylmethoxypentan-3-amine?
N-phenylmethoxypentan-3-amine has a molecular weight of 193.29 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenylmethoxypentan-3-amine is sourced from PubChem (CID 15366668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).