3-(4-butylphenoxy)-2-methylpropan-1-amine

C14H23NO — CID 115492916

IUPAC3-(4-butylphenoxy)-2-methylpropan-1-amine
SMILESCCCCc1ccc(OCC(C)CN)cc1
InChIInChI=1S/C14H23NO/c1-3-4-5-13-6-8-14(9-7-13)16-11-12(2)10-15/h6-9,12H,3-5,10-11,15H2,1-2H3
InChIKeyDTXRIOLSLLMYIC-UHFFFAOYSA-N
MW221.34 g/mol
LogP3.00
Rot. Bonds7

About 3-(4-butylphenoxy)-2-methylpropan-1-amine

3-(4-butylphenoxy)-2-methylpropan-1-amine (PubChem CID 115492916) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 3-(4-butylphenoxy)-2-methylpropan-1-amine.

Molecular Properties

Compound Name3-(4-butylphenoxy)-2-methylpropan-1-amine
PubChem CID115492916
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name3-(4-butylphenoxy)-2-methylpropan-1-amine
SMILESCCCCc1ccc(OCC(C)CN)cc1
InChIInChI=1S/C14H23NO/c1-3-4-5-13-6-8-14(9-7-13)16-11-12(2)10-15/h6-9,12H,3-5,10-11,15H2,1-2H3
InChIKeyDTXRIOLSLLMYIC-UHFFFAOYSA-N
XLogP3.00
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(2-methylbutoxy)phenyl]ethanamine
CID 62105840
1-(4-butylphenoxy)-3-methylpentan-2-amine
CID 115492419
1,3-bis(4-butylphenoxy)propan-2-ol
CID 142296403
[4-(2-methylbutoxy)phenyl]methanamine
CID 62105657
1-(4-pentylphenoxy)propan-2-ol
CID 142276328
[4-[(2S)-2-methylbutoxy]phenyl]-(4-nonylphenyl)diazene
CID 88604896
[4-[5-[4-(aminomethyl)phenoxy]-2,4-dimethylpentoxy]phenyl]methanamine
CID 143390890
(4-butylphenyl)-[4-(2-methylbutoxy)phenyl]imino-oxidoazanium
CID 86056798
5-heptyl-2-[4-(2-methylbutoxy)phenyl]pyridine
CID 67813109
1-(4-butylphenoxy)-3-(propan-2-ylamino)propan-2-ol
CID 10587787
O-(4-butylphenyl)hydroxylamine
CID 176620577
N-ethyl-2-methyl-3-(4-propylphenoxy)propan-1-amine
CID 62549610

Frequently Asked Questions

What is the IUPAC name of 3-(4-butylphenoxy)-2-methylpropan-1-amine?
The IUPAC name of 3-(4-butylphenoxy)-2-methylpropan-1-amine (CID 115492916) is 3-(4-butylphenoxy)-2-methylpropan-1-amine.
What is the SMILES notation for 3-(4-butylphenoxy)-2-methylpropan-1-amine?
The canonical SMILES for 3-(4-butylphenoxy)-2-methylpropan-1-amine is CCCCc1ccc(OCC(C)CN)cc1.
What is the InChIKey of 3-(4-butylphenoxy)-2-methylpropan-1-amine?
The InChIKey is DTXRIOLSLLMYIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-3-4-5-13-6-8-14(9-7-13)16-11-12(2)10-15/h6-9,12H,3-5,10-11,15H2,1-2H3.
What are the key properties of 3-(4-butylphenoxy)-2-methylpropan-1-amine?
3-(4-butylphenoxy)-2-methylpropan-1-amine has a molecular weight of 221.34 g/mol, XLogP of 3.00, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-butylphenoxy)-2-methylpropan-1-amine is sourced from PubChem (CID 115492916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).