N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]propan-2-amine

C15H19NOS — CID 60880650

IUPACN-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]propan-2-amine
SMILESCC(C)NCc1ccc(OCc2cccs2)cc1
InChIInChI=1S/C15H19NOS/c1-12(2)16-10-13-5-7-14(8-6-13)17-11-15-4-3-9-18-15/h3-9,12,16H,10-11H2,1-2H3
InChIKeyDAVZPPCHGWNKQU-UHFFFAOYSA-N
MW261.39 g/mol
LogP3.83
Rot. Bonds6

About N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]propan-2-amine

N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]propan-2-amine (PubChem CID 60880650) has the molecular formula C15H19NOS and a molecular weight of 261.39 g/mol. Its IUPAC name is N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]propan-2-amine
PubChem CID60880650
Molecular FormulaC15H19NOS
Molecular Weight261.39 g/mol
Exact Mass261.12
IUPAC NameN-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]propan-2-amine
SMILESCC(C)NCc1ccc(OCc2cccs2)cc1
InChIInChI=1S/C15H19NOS/c1-12(2)16-10-13-5-7-14(8-6-13)17-11-15-4-3-9-18-15/h3-9,12,16H,10-11H2,1-2H3
InChIKeyDAVZPPCHGWNKQU-UHFFFAOYSA-N
XLogP3.83
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[4-(thiophen-2-ylmethoxy)phenyl]methylamino]propan-2-ol
CID 4715930
N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]ethanamine;hydrochloride
CID 17290088
1-[4-(thiophen-2-ylmethoxy)phenyl]propan-2-ol
CID 115496016
N-[[3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]propan-2-amine
CID 60657605
N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]cyclopentanamine
CID 961311
N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]cycloheptanamine;hydrochloride
CID 17331804
2,4,4-trimethyl-N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]pentan-2-amine
CID 4723305
N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]cyclooctanamine;hydrochloride
CID 17331809
2-[[4-(bromomethyl)phenoxy]methyl]thiophene
CID 43141545
methyl-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]azanium
CID 7827460
N-[[4-[(4-methoxyphenoxy)methyl]phenyl]methyl]propan-2-amine
CID 62459407
N-methyl-4-(thiophen-2-ylmethoxy)aniline
CID 61027856

Frequently Asked Questions

What is the IUPAC name of N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]propan-2-amine?
The IUPAC name of N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]propan-2-amine (CID 60880650) is N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]propan-2-amine is CC(C)NCc1ccc(OCc2cccs2)cc1.
What is the InChIKey of N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]propan-2-amine?
The InChIKey is DAVZPPCHGWNKQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NOS/c1-12(2)16-10-13-5-7-14(8-6-13)17-11-15-4-3-9-18-15/h3-9,12,16H,10-11H2,1-2H3.
What are the key properties of N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]propan-2-amine?
N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]propan-2-amine has a molecular weight of 261.39 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]propan-2-amine is sourced from PubChem (CID 60880650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).