[3-butyl-5-(1-methoxybutyl)phenyl]methanamine

C16H27NO — CID 146566049

IUPAC[3-butyl-5-(1-methoxybutyl)phenyl]methanamine
SMILESCCCCc1cc(CN)cc(C(CCC)OC)c1
InChIInChI=1S/C16H27NO/c1-4-6-8-13-9-14(12-17)11-15(10-13)16(18-3)7-5-2/h9-11,16H,4-8,12,17H2,1-3H3
InChIKeyQDSGDBBKNXRVPJ-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.98
Rot. Bonds8

About [3-butyl-5-(1-methoxybutyl)phenyl]methanamine

[3-butyl-5-(1-methoxybutyl)phenyl]methanamine (PubChem CID 146566049) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is [3-butyl-5-(1-methoxybutyl)phenyl]methanamine.

Molecular Properties

Compound Name[3-butyl-5-(1-methoxybutyl)phenyl]methanamine
PubChem CID146566049
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name[3-butyl-5-(1-methoxybutyl)phenyl]methanamine
SMILESCCCCc1cc(CN)cc(C(CCC)OC)c1
InChIInChI=1S/C16H27NO/c1-4-6-8-13-9-14(12-17)11-15(10-13)16(18-3)7-5-2/h9-11,16H,4-8,12,17H2,1-3H3
InChIKeyQDSGDBBKNXRVPJ-UHFFFAOYSA-N
XLogP3.98
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 ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,3-dibutyl-5-propan-2-ylbenzene
CID 19812391
(3,5-dihexylphenyl)methanamine
CID 174558763
4-[(1R)-1-methoxybutyl]aniline
CID 124500573
[4-(1,3-dimethoxypropyl)phenyl]methanamine
CID 172700562
1-butyl-4-(1-methoxypropyl)benzene
CID 123986440
[2-(1-methoxybutyl)pyrimidin-5-yl]methanamine
CID 116731217
1-butyl-3,5-di(tetradecyl)benzene
CID 91192270
(3-octan-4-ylphenyl)methanamine
CID 142098371
1-butyl-3,5-dimethoxybenzene
CID 524875
1-(1-methoxypropyl)-4-octylbenzene
CID 123387673
3,5-dibutylphenol
CID 15936149
1-[4-[(1S)-1-methoxybutyl]phenyl]ethanone
CID 124500308

Frequently Asked Questions

What is the IUPAC name of [3-butyl-5-(1-methoxybutyl)phenyl]methanamine?
The IUPAC name of [3-butyl-5-(1-methoxybutyl)phenyl]methanamine (CID 146566049) is [3-butyl-5-(1-methoxybutyl)phenyl]methanamine.
What is the SMILES notation for [3-butyl-5-(1-methoxybutyl)phenyl]methanamine?
The canonical SMILES for [3-butyl-5-(1-methoxybutyl)phenyl]methanamine is CCCCc1cc(CN)cc(C(CCC)OC)c1.
What is the InChIKey of [3-butyl-5-(1-methoxybutyl)phenyl]methanamine?
The InChIKey is QDSGDBBKNXRVPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-4-6-8-13-9-14(12-17)11-15(10-13)16(18-3)7-5-2/h9-11,16H,4-8,12,17H2,1-3H3.
What are the key properties of [3-butyl-5-(1-methoxybutyl)phenyl]methanamine?
[3-butyl-5-(1-methoxybutyl)phenyl]methanamine has a molecular weight of 249.40 g/mol, XLogP of 3.98, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-butyl-5-(1-methoxybutyl)phenyl]methanamine is sourced from PubChem (CID 146566049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).