1-[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]-N-(thiophen-2-ylmethyl)methanamine

C17H23NOS — CID 119107424

IUPAC1-[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]-N-(thiophen-2-ylmethyl)methanamine
SMILESCC(C)(C)OCc1cccc(CNCc2cccs2)c1
InChIInChI=1S/C17H23NOS/c1-17(2,3)19-13-15-7-4-6-14(10-15)11-18-12-16-8-5-9-20-16/h4-10,18H,11-13H2,1-3H3
InChIKeyNDNPOHHTVLAOCO-UHFFFAOYSA-N
MW289.44 g/mol
LogP4.35
Rot. Bonds6

About 1-[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]-N-(thiophen-2-ylmethyl)methanamine

1-[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]-N-(thiophen-2-ylmethyl)methanamine (PubChem CID 119107424) has the molecular formula C17H23NOS and a molecular weight of 289.44 g/mol. Its IUPAC name is 1-[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]-N-(thiophen-2-ylmethyl)methanamine.

Molecular Properties

Compound Name1-[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]-N-(thiophen-2-ylmethyl)methanamine
PubChem CID119107424
Molecular FormulaC17H23NOS
Molecular Weight289.44 g/mol
Exact Mass289.15
IUPAC Name1-[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]-N-(thiophen-2-ylmethyl)methanamine
SMILESCC(C)(C)OCc1cccc(CNCc2cccs2)c1
InChIInChI=1S/C17H23NOS/c1-17(2,3)19-13-15-7-4-6-14(10-15)11-18-12-16-8-5-9-20-16/h4-10,18H,11-13H2,1-3H3
InChIKeyNDNPOHHTVLAOCO-UHFFFAOYSA-N
XLogP4.35
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.44
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]-1-pyridin-4-ylmethanamine
CID 119107430
1-[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]-N-[(2-methyl-1,3-thiazol-5-yl)methyl]methanamine
CID 119107400
[3-[(thiophen-2-ylmethylamino)methyl]phenyl]methanamine
CID 115212986
[3-[(thiophen-2-ylmethylamino)methyl]phenyl]methanol;hydrochloride
CID 115615873
1-[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]-N-[(3,4,5-trifluorophenyl)methyl]methanamine
CID 119113222
1-(3-fluorophenyl)-N-(thiophen-2-ylmethyl)methanamine
CID 28668397
1-cyclopropyl-N-[[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]methanamine
CID 119110641
N-(thiophen-2-ylmethyl)-1-[3-(trifluoromethyl)phenyl]methanamine
CID 1460717
N-[(2-fluorophenyl)methyl]-1-[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methanamine
CID 119107414
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methanamine
CID 119107422
N-[(2-methoxyphenyl)methyl]-1-[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]methanamine
CID 119107449
1-[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]-N-[(2,4,6-trimethoxyphenyl)methyl]methanamine
CID 119107461

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]-N-(thiophen-2-ylmethyl)methanamine?
The IUPAC name of 1-[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]-N-(thiophen-2-ylmethyl)methanamine (CID 119107424) is 1-[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]-N-(thiophen-2-ylmethyl)methanamine.
What is the SMILES notation for 1-[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]-N-(thiophen-2-ylmethyl)methanamine?
The canonical SMILES for 1-[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]-N-(thiophen-2-ylmethyl)methanamine is CC(C)(C)OCc1cccc(CNCc2cccs2)c1.
What is the InChIKey of 1-[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]-N-(thiophen-2-ylmethyl)methanamine?
The InChIKey is NDNPOHHTVLAOCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NOS/c1-17(2,3)19-13-15-7-4-6-14(10-15)11-18-12-16-8-5-9-20-16/h4-10,18H,11-13H2,1-3H3.
What are the key properties of 1-[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]-N-(thiophen-2-ylmethyl)methanamine?
1-[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]-N-(thiophen-2-ylmethyl)methanamine has a molecular weight of 289.44 g/mol, XLogP of 4.35, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]-N-(thiophen-2-ylmethyl)methanamine is sourced from PubChem (CID 119107424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).