1-[2-[(2-methylpropan-2-yl)oxy]phenyl]-N-(thiophen-2-ylmethyl)methanamine

C16H21NOS — CID 70896653

IUPAC1-[2-[(2-methylpropan-2-yl)oxy]phenyl]-N-(thiophen-2-ylmethyl)methanamine
SMILESCC(C)(C)Oc1ccccc1CNCc1cccs1
InChIInChI=1S/C16H21NOS/c1-16(2,3)18-15-9-5-4-7-13(15)11-17-12-14-8-6-10-19-14/h4-10,17H,11-12H2,1-3H3
InChIKeyMZUUPFNJXDYNOI-UHFFFAOYSA-N
MW275.42 g/mol
LogP4.22
Rot. Bonds5

About 1-[2-[(2-methylpropan-2-yl)oxy]phenyl]-N-(thiophen-2-ylmethyl)methanamine

1-[2-[(2-methylpropan-2-yl)oxy]phenyl]-N-(thiophen-2-ylmethyl)methanamine (PubChem CID 70896653) has the molecular formula C16H21NOS and a molecular weight of 275.42 g/mol. Its IUPAC name is 1-[2-[(2-methylpropan-2-yl)oxy]phenyl]-N-(thiophen-2-ylmethyl)methanamine.

Molecular Properties

Compound Name1-[2-[(2-methylpropan-2-yl)oxy]phenyl]-N-(thiophen-2-ylmethyl)methanamine
PubChem CID70896653
Molecular FormulaC16H21NOS
Molecular Weight275.42 g/mol
Exact Mass275.13
IUPAC Name1-[2-[(2-methylpropan-2-yl)oxy]phenyl]-N-(thiophen-2-ylmethyl)methanamine
SMILESCC(C)(C)Oc1ccccc1CNCc1cccs1
InChIInChI=1S/C16H21NOS/c1-16(2,3)18-15-9-5-4-7-13(15)11-17-12-14-8-6-10-19-14/h4-10,17H,11-12H2,1-3H3
InChIKeyMZUUPFNJXDYNOI-UHFFFAOYSA-N
XLogP4.22
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-hexoxyphenyl)-N-(thiophen-2-ylmethyl)methanamine
CID 54798960
N-tert-butyl-2-[(thiophen-2-ylmethylamino)methyl]benzenesulfonamide
CID 48563028
1-(3-ethoxy-2-methoxyphenyl)-N-(thiophen-2-ylmethyl)methanamine
CID 43221014
N-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-1,3-thiazol-2-amine
CID 82538616
1-naphthalen-1-yl-N-(thiophen-2-ylmethyl)methanamine;hydrochloride
CID 17289837
2,2-dimethyl-N-(thiophen-2-ylmethyl)propan-1-amine
CID 21304833
1-(3-methoxy-2-phenylmethoxyphenyl)-N-(thiophen-2-ylmethyl)methanamine
CID 3162096
2-(2-ethylphenoxy)-N-(thiophen-2-ylmethyl)ethanamine
CID 39361592
1-[2-(oxolan-2-ylmethoxy)phenyl]-N-(thiophen-2-ylmethyl)methanamine
CID 54849898
N-[2-[(thiophen-2-ylmethylamino)methyl]phenyl]acetamide
CID 66290268
3-chloro-2,2-dimethyl-N-(thiophen-2-ylmethyl)propan-1-amine
CID 115363553
2-methyl-4-(thiophen-2-ylmethylamino)butan-2-ol
CID 79359757

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2-methylpropan-2-yl)oxy]phenyl]-N-(thiophen-2-ylmethyl)methanamine?
The IUPAC name of 1-[2-[(2-methylpropan-2-yl)oxy]phenyl]-N-(thiophen-2-ylmethyl)methanamine (CID 70896653) is 1-[2-[(2-methylpropan-2-yl)oxy]phenyl]-N-(thiophen-2-ylmethyl)methanamine.
What is the SMILES notation for 1-[2-[(2-methylpropan-2-yl)oxy]phenyl]-N-(thiophen-2-ylmethyl)methanamine?
The canonical SMILES for 1-[2-[(2-methylpropan-2-yl)oxy]phenyl]-N-(thiophen-2-ylmethyl)methanamine is CC(C)(C)Oc1ccccc1CNCc1cccs1.
What is the InChIKey of 1-[2-[(2-methylpropan-2-yl)oxy]phenyl]-N-(thiophen-2-ylmethyl)methanamine?
The InChIKey is MZUUPFNJXDYNOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NOS/c1-16(2,3)18-15-9-5-4-7-13(15)11-17-12-14-8-6-10-19-14/h4-10,17H,11-12H2,1-3H3.
What are the key properties of 1-[2-[(2-methylpropan-2-yl)oxy]phenyl]-N-(thiophen-2-ylmethyl)methanamine?
1-[2-[(2-methylpropan-2-yl)oxy]phenyl]-N-(thiophen-2-ylmethyl)methanamine has a molecular weight of 275.42 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2-methylpropan-2-yl)oxy]phenyl]-N-(thiophen-2-ylmethyl)methanamine is sourced from PubChem (CID 70896653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).