4-[4-(3-methoxy-3-methylbutyl)phenyl]butan-1-amine

C16H27NO — CID 117115635

IUPAC4-[4-(3-methoxy-3-methylbutyl)phenyl]butan-1-amine
SMILESCOC(C)(C)CCc1ccc(CCCCN)cc1
InChIInChI=1S/C16H27NO/c1-16(2,18-3)12-11-15-9-7-14(8-10-15)6-4-5-13-17/h7-10H,4-6,11-13,17H2,1-3H3
InChIKeySKXRZZUUKAOZJM-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.33
Rot. Bonds8

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

4-[4-(3-methoxy-3-methylbutyl)phenyl]butan-1-amine (PubChem CID 117115635) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is 4-[4-(3-methoxy-3-methylbutyl)phenyl]butan-1-amine.

Molecular Properties

Compound Name4-[4-(3-methoxy-3-methylbutyl)phenyl]butan-1-amine
PubChem CID117115635
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name4-[4-(3-methoxy-3-methylbutyl)phenyl]butan-1-amine
SMILESCOC(C)(C)CCc1ccc(CCCCN)cc1
InChIInChI=1S/C16H27NO/c1-16(2,18-3)12-11-15-9-7-14(8-10-15)6-4-5-13-17/h7-10H,4-6,11-13,17H2,1-3H3
InChIKeySKXRZZUUKAOZJM-UHFFFAOYSA-N
XLogP3.33
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.33
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-[4-(3-methoxy-3-methylbutyl)phenyl]-2-methylpropan-2-amine
CID 117111980
4-[4-(4-aminobutyl)phenyl]butan-1-amine
CID 13016028
(E)-3-[4-(3-methoxy-3-methylbutyl)phenyl]prop-2-en-1-amine
CID 115111046
4-[3-(2-methoxy-2-methylpropyl)phenyl]butan-1-amine
CID 117115621
2-[4-(3-methoxy-3-methylbutyl)phenyl]acetonitrile
CID 115110938
1-[[4-(3-methoxy-3-methylbutyl)phenyl]methyl]cyclopropan-1-amine
CID 117116075
4-(4-methoxyphenyl)butan-1-amine;hydrochloride
CID 22715047
5-(4-methoxyphenyl)pentan-1-amine
CID 11507342
10-(4-methoxyphenyl)decan-1-amine
CID 70566558
4-(3-aminopropyl)-N-(2-methoxy-2-methylpropyl)benzenesulfonamide
CID 106079938
1-[4-(4-aminobutyl)phenyl]-2-methylpropan-2-ol
CID 117115615
4-[4-(2,2-difluoropropyl)phenyl]butan-1-amine
CID 117327291

Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-methoxy-3-methylbutyl)phenyl]butan-1-amine?
The IUPAC name of 4-[4-(3-methoxy-3-methylbutyl)phenyl]butan-1-amine (CID 117115635) is 4-[4-(3-methoxy-3-methylbutyl)phenyl]butan-1-amine.
What is the SMILES notation for 4-[4-(3-methoxy-3-methylbutyl)phenyl]butan-1-amine?
The canonical SMILES for 4-[4-(3-methoxy-3-methylbutyl)phenyl]butan-1-amine is COC(C)(C)CCc1ccc(CCCCN)cc1.
What is the InChIKey of 4-[4-(3-methoxy-3-methylbutyl)phenyl]butan-1-amine?
The InChIKey is SKXRZZUUKAOZJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-16(2,18-3)12-11-15-9-7-14(8-10-15)6-4-5-13-17/h7-10H,4-6,11-13,17H2,1-3H3.
What are the key properties of 4-[4-(3-methoxy-3-methylbutyl)phenyl]butan-1-amine?
4-[4-(3-methoxy-3-methylbutyl)phenyl]butan-1-amine has a molecular weight of 249.40 g/mol, XLogP of 3.33, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-methoxy-3-methylbutyl)phenyl]butan-1-amine is sourced from PubChem (CID 117115635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).