1-[3-(2-methylpropoxy)phenyl]-N-(thiophen-2-ylmethyl)methanamine

C16H21NOS — CID 54798947

IUPAC1-[3-(2-methylpropoxy)phenyl]-N-(thiophen-2-ylmethyl)methanamine
SMILESCC(C)COc1cccc(CNCc2cccs2)c1
InChIInChI=1S/C16H21NOS/c1-13(2)12-18-15-6-3-5-14(9-15)10-17-11-16-7-4-8-19-16/h3-9,13,17H,10-12H2,1-2H3
InChIKeyVYHBEVIYNKYQKF-UHFFFAOYSA-N
MW275.42 g/mol
LogP4.07
Rot. Bonds7

About 1-[3-(2-methylpropoxy)phenyl]-N-(thiophen-2-ylmethyl)methanamine

1-[3-(2-methylpropoxy)phenyl]-N-(thiophen-2-ylmethyl)methanamine (PubChem CID 54798947) has the molecular formula C16H21NOS and a molecular weight of 275.42 g/mol. Its IUPAC name is 1-[3-(2-methylpropoxy)phenyl]-N-(thiophen-2-ylmethyl)methanamine.

Molecular Properties

Compound Name1-[3-(2-methylpropoxy)phenyl]-N-(thiophen-2-ylmethyl)methanamine
PubChem CID54798947
Molecular FormulaC16H21NOS
Molecular Weight275.42 g/mol
Exact Mass275.13
IUPAC Name1-[3-(2-methylpropoxy)phenyl]-N-(thiophen-2-ylmethyl)methanamine
SMILESCC(C)COc1cccc(CNCc2cccs2)c1
InChIInChI=1S/C16H21NOS/c1-13(2)12-18-15-6-3-5-14(9-15)10-17-11-16-7-4-8-19-16/h3-9,13,17H,10-12H2,1-2H3
InChIKeyVYHBEVIYNKYQKF-UHFFFAOYSA-N
XLogP4.07
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(2-methylpropoxy)phenyl]-N-(thiophen-2-ylmethyl)methanamine
CID 54798957
3-[[3-(2-methylpropoxy)phenyl]methyl]-1-prop-2-enyl-1-(thiophen-2-ylmethyl)urea
CID 60580734
N-(furan-2-ylmethyl)-1-[3-(2-methylpropoxy)phenyl]methanamine
CID 39360428
1-(3-pyrimidin-2-yloxyphenyl)-N-(thiophen-2-ylmethyl)methanamine;hydrochloride
CID 17213569
N-[[3-(2-thiophen-2-ylethoxy)phenyl]methyl]ethanamine
CID 63776029
N-[[3-(2-methylpropoxy)phenyl]methyl]butan-1-amine
CID 54797369
N'-[4-(2-methylpropoxy)phenyl]-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 54808541
N-[(3-propoxyphenyl)methyl]-2-thiophen-2-ylethanamine
CID 39374683
1-(3-fluorophenyl)-N-(thiophen-2-ylmethyl)methanamine
CID 28668397
[3-[(thiophen-2-ylmethylamino)methyl]phenyl]methanamine
CID 115212986
1-[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]-N-(thiophen-2-ylmethyl)methanamine
CID 119107424
[3-[(thiophen-2-ylmethylamino)methyl]phenyl]methanol;hydrochloride
CID 115615873

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-methylpropoxy)phenyl]-N-(thiophen-2-ylmethyl)methanamine?
The IUPAC name of 1-[3-(2-methylpropoxy)phenyl]-N-(thiophen-2-ylmethyl)methanamine (CID 54798947) is 1-[3-(2-methylpropoxy)phenyl]-N-(thiophen-2-ylmethyl)methanamine.
What is the SMILES notation for 1-[3-(2-methylpropoxy)phenyl]-N-(thiophen-2-ylmethyl)methanamine?
The canonical SMILES for 1-[3-(2-methylpropoxy)phenyl]-N-(thiophen-2-ylmethyl)methanamine is CC(C)COc1cccc(CNCc2cccs2)c1.
What is the InChIKey of 1-[3-(2-methylpropoxy)phenyl]-N-(thiophen-2-ylmethyl)methanamine?
The InChIKey is VYHBEVIYNKYQKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NOS/c1-13(2)12-18-15-6-3-5-14(9-15)10-17-11-16-7-4-8-19-16/h3-9,13,17H,10-12H2,1-2H3.
What are the key properties of 1-[3-(2-methylpropoxy)phenyl]-N-(thiophen-2-ylmethyl)methanamine?
1-[3-(2-methylpropoxy)phenyl]-N-(thiophen-2-ylmethyl)methanamine has a molecular weight of 275.42 g/mol, XLogP of 4.07, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-methylpropoxy)phenyl]-N-(thiophen-2-ylmethyl)methanamine is sourced from PubChem (CID 54798947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).