2,4,4-trimethyl-N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]pentan-2-amine

C20H29NOS — CID 4723305

IUPAC2,4,4-trimethyl-N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]pentan-2-amine
SMILESCC(C)(C)CC(C)(C)NCc1ccc(OCc2cccs2)cc1
InChIInChI=1S/C20H29NOS/c1-19(2,3)15-20(4,5)21-13-16-8-10-17(11-9-16)22-14-18-7-6-12-23-18/h6-12,21H,13-15H2,1-5H3
InChIKeyQTHXSIVYPRSGFJ-UHFFFAOYSA-N
MW331.53 g/mol
LogP5.63
Rot. Bonds7

About 2,4,4-trimethyl-N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]pentan-2-amine

2,4,4-trimethyl-N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]pentan-2-amine (PubChem CID 4723305) has the molecular formula C20H29NOS and a molecular weight of 331.53 g/mol. Its IUPAC name is 2,4,4-trimethyl-N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]pentan-2-amine.

Molecular Properties

Compound Name2,4,4-trimethyl-N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]pentan-2-amine
PubChem CID4723305
Molecular FormulaC20H29NOS
Molecular Weight331.53 g/mol
Exact Mass331.20
IUPAC Name2,4,4-trimethyl-N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]pentan-2-amine
SMILESCC(C)(C)CC(C)(C)NCc1ccc(OCc2cccs2)cc1
InChIInChI=1S/C20H29NOS/c1-19(2,3)15-20(4,5)21-13-16-8-10-17(11-9-16)22-14-18-7-6-12-23-18/h6-12,21H,13-15H2,1-5H3
InChIKeyQTHXSIVYPRSGFJ-UHFFFAOYSA-N
XLogP5.63
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.53
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,4,4-trimethyl-N-(thiophen-2-ylmethyl)pentan-2-amine
CID 4722843
N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]propan-2-amine
CID 60880650
N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]ethanamine;hydrochloride
CID 17290088
1-[[4-(thiophen-2-ylmethoxy)phenyl]methylamino]propan-2-ol
CID 4715930
N-[(4-methoxyphenyl)methyl]-2,4,4-trimethylpentan-2-amine;hydrochloride
CID 17331447
2-[[4-(bromomethyl)phenoxy]methyl]thiophene
CID 43141545
N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]cyclopentanamine
CID 961311
methyl-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]azanium
CID 7827460
N-methyl-4-(thiophen-2-ylmethoxy)aniline
CID 61027856
N',N'-diethyl-N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]ethane-1,2-diamine
CID 4723300
N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]cycloheptanamine;hydrochloride
CID 17331804
N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]cyclooctanamine;hydrochloride
CID 17331809

Frequently Asked Questions

What is the IUPAC name of 2,4,4-trimethyl-N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]pentan-2-amine?
The IUPAC name of 2,4,4-trimethyl-N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]pentan-2-amine (CID 4723305) is 2,4,4-trimethyl-N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]pentan-2-amine.
What is the SMILES notation for 2,4,4-trimethyl-N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]pentan-2-amine?
The canonical SMILES for 2,4,4-trimethyl-N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]pentan-2-amine is CC(C)(C)CC(C)(C)NCc1ccc(OCc2cccs2)cc1.
What is the InChIKey of 2,4,4-trimethyl-N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]pentan-2-amine?
The InChIKey is QTHXSIVYPRSGFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29NOS/c1-19(2,3)15-20(4,5)21-13-16-8-10-17(11-9-16)22-14-18-7-6-12-23-18/h6-12,21H,13-15H2,1-5H3.
What are the key properties of 2,4,4-trimethyl-N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]pentan-2-amine?
2,4,4-trimethyl-N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]pentan-2-amine has a molecular weight of 331.53 g/mol, XLogP of 5.63, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,4-trimethyl-N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]pentan-2-amine is sourced from PubChem (CID 4723305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).