3-butoxy-3-phenylpropan-1-amine

C13H21NO — CID 114998461

IUPAC3-butoxy-3-phenylpropan-1-amine
SMILESCCCCOC(CCN)c1ccccc1
InChIInChI=1S/C13H21NO/c1-2-3-11-15-13(9-10-14)12-7-5-4-6-8-12/h4-8,13H,2-3,9-11,14H2,1H3
InChIKeyUHSSCQZANACVCF-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.89
Rot. Bonds7

About 3-butoxy-3-phenylpropan-1-amine

3-butoxy-3-phenylpropan-1-amine (PubChem CID 114998461) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 3-butoxy-3-phenylpropan-1-amine.

Molecular Properties

Compound Name3-butoxy-3-phenylpropan-1-amine
PubChem CID114998461
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name3-butoxy-3-phenylpropan-1-amine
SMILESCCCCOC(CCN)c1ccccc1
InChIInChI=1S/C13H21NO/c1-2-3-11-15-13(9-10-14)12-7-5-4-6-8-12/h4-8,13H,2-3,9-11,14H2,1H3
InChIKeyUHSSCQZANACVCF-UHFFFAOYSA-N
XLogP2.89
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.89
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

1-pentoxybutylbenzene
CID 173061669
1-dodecoxyhexylbenzene
CID 174774790
1-pentoxypropylbenzene
CID 57033372
1-(2-methoxyethoxy)pentylbenzene
CID 10977044
1,3-dibutoxybutylbenzene
CID 22372610
3-(2-amino-1-phenylethoxy)propan-1-amine
CID 70040020
1-(1-butoxybutyl)-4-chlorobenzene
CID 56977636
O-(3-amino-1-phenylpropyl)hydroxylamine
CID 58171394
3-(4-ethylphenoxy)-3-phenylpropan-1-amine
CID 112501685
1-ethoxydecylbenzene
CID 71423896
[1-butoxy-2-(3-methylbutoxy)-2-phenylethyl]benzene
CID 139393088
3-phenyl-3-(4-propan-2-yloxyphenoxy)propan-1-amine
CID 10177883

Frequently Asked Questions

What is the IUPAC name of 3-butoxy-3-phenylpropan-1-amine?
The IUPAC name of 3-butoxy-3-phenylpropan-1-amine (CID 114998461) is 3-butoxy-3-phenylpropan-1-amine.
What is the SMILES notation for 3-butoxy-3-phenylpropan-1-amine?
The canonical SMILES for 3-butoxy-3-phenylpropan-1-amine is CCCCOC(CCN)c1ccccc1.
What is the InChIKey of 3-butoxy-3-phenylpropan-1-amine?
The InChIKey is UHSSCQZANACVCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-2-3-11-15-13(9-10-14)12-7-5-4-6-8-12/h4-8,13H,2-3,9-11,14H2,1H3.
What are the key properties of 3-butoxy-3-phenylpropan-1-amine?
3-butoxy-3-phenylpropan-1-amine has a molecular weight of 207.32 g/mol, XLogP of 2.89, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butoxy-3-phenylpropan-1-amine is sourced from PubChem (CID 114998461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).