1-[4-(3-methylbutoxy)phenyl]butan-1-amine

C15H25NO — CID 153373818

IUPAC1-[4-(3-methylbutoxy)phenyl]butan-1-amine
SMILESCCCC(N)c1ccc(OCCC(C)C)cc1
InChIInChI=1S/C15H25NO/c1-4-5-15(16)13-6-8-14(9-7-13)17-11-10-12(2)3/h6-9,12,15H,4-5,10-11,16H2,1-3H3
InChIKeyCBOZEPZCSIJUPG-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.91
Rot. Bonds7

About 1-[4-(3-methylbutoxy)phenyl]butan-1-amine

1-[4-(3-methylbutoxy)phenyl]butan-1-amine (PubChem CID 153373818) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 1-[4-(3-methylbutoxy)phenyl]butan-1-amine.

Molecular Properties

Compound Name1-[4-(3-methylbutoxy)phenyl]butan-1-amine
PubChem CID153373818
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name1-[4-(3-methylbutoxy)phenyl]butan-1-amine
SMILESCCCC(N)c1ccc(OCCC(C)C)cc1
InChIInChI=1S/C15H25NO/c1-4-5-15(16)13-6-8-14(9-7-13)17-11-10-12(2)3/h6-9,12,15H,4-5,10-11,16H2,1-3H3
InChIKeyCBOZEPZCSIJUPG-UHFFFAOYSA-N
XLogP3.91
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-butoxyphenyl)-4-methylpentan-1-amine
CID 105127236
1-[4-[2-(diethylamino)ethoxy]phenyl]butan-1-amine
CID 66822143
1-(4-propoxyphenyl)pentan-1-amine
CID 79016312
N'-methyl-N'-(3-methylbutyl)-1-(4-propoxyphenyl)ethane-1,2-diamine
CID 61429545
1-(4-propoxyphenyl)propan-1-amine
CID 16783118
2-pentan-2-yloxy-1-(4-propoxyphenyl)ethanamine
CID 102981242
2-amino-N-[1-[4-(3-methylbutoxy)phenyl]ethyl]pentanamide
CID 119311275
(1R)-1-(4-propan-2-ylphenyl)butan-1-amine
CID 78960974
(1R)-1-(4-propoxyphenyl)ethane-1,2-diamine
CID 66516534
N',N'-dimethyl-1-(4-propoxyphenyl)ethane-1,2-diamine
CID 16784602
3-amino-3-(4-decoxyphenyl)propan-1-ol
CID 170874519
1-ethyl-4-(3-methylbutoxy)benzene
CID 60722998

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-methylbutoxy)phenyl]butan-1-amine?
The IUPAC name of 1-[4-(3-methylbutoxy)phenyl]butan-1-amine (CID 153373818) is 1-[4-(3-methylbutoxy)phenyl]butan-1-amine.
What is the SMILES notation for 1-[4-(3-methylbutoxy)phenyl]butan-1-amine?
The canonical SMILES for 1-[4-(3-methylbutoxy)phenyl]butan-1-amine is CCCC(N)c1ccc(OCCC(C)C)cc1.
What is the InChIKey of 1-[4-(3-methylbutoxy)phenyl]butan-1-amine?
The InChIKey is CBOZEPZCSIJUPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-4-5-15(16)13-6-8-14(9-7-13)17-11-10-12(2)3/h6-9,12,15H,4-5,10-11,16H2,1-3H3.
What are the key properties of 1-[4-(3-methylbutoxy)phenyl]butan-1-amine?
1-[4-(3-methylbutoxy)phenyl]butan-1-amine has a molecular weight of 235.37 g/mol, XLogP of 3.91, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-methylbutoxy)phenyl]butan-1-amine is sourced from PubChem (CID 153373818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).