(4-butoxyphenyl)-(5-methylthiophen-2-yl)methanamine

C16H21NOS — CID 105162171

IUPAC(4-butoxyphenyl)-(5-methylthiophen-2-yl)methanamine
SMILESCCCCOc1ccc(C(N)c2ccc(C)s2)cc1
InChIInChI=1S/C16H21NOS/c1-3-4-11-18-14-8-6-13(7-9-14)16(17)15-10-5-12(2)19-15/h5-10,16H,3-4,11,17H2,1-2H3
InChIKeyAYHWCACUMBLKOE-UHFFFAOYSA-N
MW275.42 g/mol
LogP4.28
Rot. Bonds6

About (4-butoxyphenyl)-(5-methylthiophen-2-yl)methanamine

(4-butoxyphenyl)-(5-methylthiophen-2-yl)methanamine (PubChem CID 105162171) has the molecular formula C16H21NOS and a molecular weight of 275.42 g/mol. Its IUPAC name is (4-butoxyphenyl)-(5-methylthiophen-2-yl)methanamine.

Molecular Properties

Compound Name(4-butoxyphenyl)-(5-methylthiophen-2-yl)methanamine
PubChem CID105162171
Molecular FormulaC16H21NOS
Molecular Weight275.42 g/mol
Exact Mass275.13
IUPAC Name(4-butoxyphenyl)-(5-methylthiophen-2-yl)methanamine
SMILESCCCCOc1ccc(C(N)c2ccc(C)s2)cc1
InChIInChI=1S/C16H21NOS/c1-3-4-11-18-14-8-6-13(7-9-14)16(17)15-10-5-12(2)19-15/h5-10,16H,3-4,11,17H2,1-2H3
InChIKeyAYHWCACUMBLKOE-UHFFFAOYSA-N
XLogP4.28
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(4-butoxyphenyl)-(4-methylphenyl)methanamine
CID 105092574
(4-butoxyphenyl)-(4-chlorophenyl)methanamine
CID 105076576
(4-iodophenyl)-(5-methylthiophen-2-yl)methanamine
CID 43124884
(4-butoxyphenyl)-(2-methylphenyl)methanamine
CID 105094897
1-(4-propoxyphenyl)pentan-1-amine
CID 79016312
(1S)-1-(4-octoxyphenyl)propan-1-amine
CID 78944099
1-(4-butoxyphenyl)-4-methylpentan-1-amine
CID 105127236
2-butoxy-1-(4-propoxyphenyl)ethanamine
CID 43267600
ethyl 3-amino-3-(4-butoxyphenyl)propanoate
CID 4715172
(4-methoxyphenyl)-(4-propoxyphenyl)methanamine
CID 62796455
(3,5-dimethylphenyl)-(4-propoxyphenyl)methanamine
CID 115853243
(4-methylsulfonylphenyl)-(5-methylthiophen-2-yl)methanamine
CID 43198043

Frequently Asked Questions

What is the IUPAC name of (4-butoxyphenyl)-(5-methylthiophen-2-yl)methanamine?
The IUPAC name of (4-butoxyphenyl)-(5-methylthiophen-2-yl)methanamine (CID 105162171) is (4-butoxyphenyl)-(5-methylthiophen-2-yl)methanamine.
What is the SMILES notation for (4-butoxyphenyl)-(5-methylthiophen-2-yl)methanamine?
The canonical SMILES for (4-butoxyphenyl)-(5-methylthiophen-2-yl)methanamine is CCCCOc1ccc(C(N)c2ccc(C)s2)cc1.
What is the InChIKey of (4-butoxyphenyl)-(5-methylthiophen-2-yl)methanamine?
The InChIKey is AYHWCACUMBLKOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NOS/c1-3-4-11-18-14-8-6-13(7-9-14)16(17)15-10-5-12(2)19-15/h5-10,16H,3-4,11,17H2,1-2H3.
What are the key properties of (4-butoxyphenyl)-(5-methylthiophen-2-yl)methanamine?
(4-butoxyphenyl)-(5-methylthiophen-2-yl)methanamine has a molecular weight of 275.42 g/mol, XLogP of 4.28, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-butoxyphenyl)-(5-methylthiophen-2-yl)methanamine is sourced from PubChem (CID 105162171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).