N-butyl-4-phenoxybutan-1-amine

C14H23NO — CID 2248956

IUPACN-butyl-4-phenoxybutan-1-amine
SMILESCCCCNCCCCOc1ccccc1
InChIInChI=1S/C14H23NO/c1-2-3-11-15-12-7-8-13-16-14-9-5-4-6-10-14/h4-6,9-10,15H,2-3,7-8,11-13H2,1H3
InChIKeyMYQAURDYZDFDDI-UHFFFAOYSA-N
MW221.34 g/mol
LogP3.24
Rot. Bonds9

About N-butyl-4-phenoxybutan-1-amine

N-butyl-4-phenoxybutan-1-amine (PubChem CID 2248956) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is N-butyl-4-phenoxybutan-1-amine.

Molecular Properties

Compound NameN-butyl-4-phenoxybutan-1-amine
PubChem CID2248956
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC NameN-butyl-4-phenoxybutan-1-amine
SMILESCCCCNCCCCOc1ccccc1
InChIInChI=1S/C14H23NO/c1-2-3-11-15-12-7-8-13-16-14-9-5-4-6-10-14/h4-6,9-10,15H,2-3,7-8,11-13H2,1H3
InChIKeyMYQAURDYZDFDDI-UHFFFAOYSA-N
XLogP3.24
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.24
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

N,N-Dimethyl-N-(2-phenoxyethyl)-1-dodecanaminium
CID 3149
2-Phenoxyethanamine
CID 15651
H-9/64
CID 3123920
Methyl(2-phenoxyethyl)amine
CID 37732
1-Phenoxy-2-propanamine
CID 37087
1-(4-Phenoxybutyl)piperidine
CID 2057411
(2-Dimethylaminoethoxy)benzene
CID 26050
Methyl(3-phenoxypropyl)amine
CID 22067856
1-Methylamino-3-phenoxy-propan-2-ol
CID 3148357
Diethyl(2-phenoxyethyl)amine
CID 66150
(3-Phenoxypropyl)amine
CID 418237
4-Phenoxypiperidine
CID 18878

Frequently Asked Questions

What is the IUPAC name of N-butyl-4-phenoxybutan-1-amine?
The IUPAC name of N-butyl-4-phenoxybutan-1-amine (CID 2248956) is N-butyl-4-phenoxybutan-1-amine.
What is the SMILES notation for N-butyl-4-phenoxybutan-1-amine?
The canonical SMILES for N-butyl-4-phenoxybutan-1-amine is CCCCNCCCCOc1ccccc1.
What is the InChIKey of N-butyl-4-phenoxybutan-1-amine?
The InChIKey is MYQAURDYZDFDDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-2-3-11-15-12-7-8-13-16-14-9-5-4-6-10-14/h4-6,9-10,15H,2-3,7-8,11-13H2,1H3.
What are the key properties of N-butyl-4-phenoxybutan-1-amine?
N-butyl-4-phenoxybutan-1-amine has a molecular weight of 221.34 g/mol, XLogP of 3.24, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-phenoxybutan-1-amine is sourced from PubChem (CID 2248956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).