N-[[3-methyl-2-(thiophen-3-ylmethoxy)phenyl]methyl]propan-1-amine

C16H21NOS — CID 112609224

IUPACN-[[3-methyl-2-(thiophen-3-ylmethoxy)phenyl]methyl]propan-1-amine
SMILESCCCNCc1cccc(C)c1OCc1ccsc1
InChIInChI=1S/C16H21NOS/c1-3-8-17-10-15-6-4-5-13(2)16(15)18-11-14-7-9-19-12-14/h4-7,9,12,17H,3,8,10-11H2,1-2H3
InChIKeyZRSCSNCRZPHWTD-UHFFFAOYSA-N
MW275.42 g/mol
LogP4.14
Rot. Bonds7

About N-[[3-methyl-2-(thiophen-3-ylmethoxy)phenyl]methyl]propan-1-amine

N-[[3-methyl-2-(thiophen-3-ylmethoxy)phenyl]methyl]propan-1-amine (PubChem CID 112609224) has the molecular formula C16H21NOS and a molecular weight of 275.42 g/mol. Its IUPAC name is N-[[3-methyl-2-(thiophen-3-ylmethoxy)phenyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[3-methyl-2-(thiophen-3-ylmethoxy)phenyl]methyl]propan-1-amine
PubChem CID112609224
Molecular FormulaC16H21NOS
Molecular Weight275.42 g/mol
Exact Mass275.13
IUPAC NameN-[[3-methyl-2-(thiophen-3-ylmethoxy)phenyl]methyl]propan-1-amine
SMILESCCCNCc1cccc(C)c1OCc1ccsc1
InChIInChI=1S/C16H21NOS/c1-3-8-17-10-15-6-4-5-13(2)16(15)18-11-14-7-9-19-12-14/h4-7,9,12,17H,3,8,10-11H2,1-2H3
InChIKeyZRSCSNCRZPHWTD-UHFFFAOYSA-N
XLogP4.14
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 ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[3-methyl-2-(2-thiophen-3-ylethoxy)phenyl]methyl]propan-1-amine
CID 115952763
3-[[2-methyl-6-(propylaminomethyl)phenoxy]methyl]phenol
CID 115952789
N-[[3-methyl-2-[(4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]methyl]propan-1-amine
CID 115952839
N-[[2-[(5-bromothiophen-2-yl)methoxy]-3-methylphenyl]methyl]propan-1-amine
CID 115952833
3-[[2-methyl-6-(propylaminomethyl)phenoxy]methyl]pentan-3-ol
CID 114492299
methyl 3-[2-methyl-6-(propylaminomethyl)phenoxy]propanoate
CID 112609166
4-[[2-(ethylaminomethyl)-6-methylphenoxy]methyl]phenol
CID 115952579
2-methoxy-N-[(3-methyl-2-phenylmethoxyphenyl)methyl]ethanamine
CID 112610278
N-[[3-bromo-2-[(3-methylphenyl)methoxy]phenyl]methyl]propan-1-amine
CID 63499383
1-[3-chloro-2-(thiophen-3-ylmethoxy)phenyl]-N-methylmethanamine
CID 112608676
1-[[2-methyl-6-(propylaminomethyl)phenoxy]methyl]cyclopentan-1-ol
CID 115952861
N-[[2-(2,6-dimethylphenoxy)phenyl]methyl]propan-1-amine
CID 43282629

Frequently Asked Questions

What is the IUPAC name of N-[[3-methyl-2-(thiophen-3-ylmethoxy)phenyl]methyl]propan-1-amine?
The IUPAC name of N-[[3-methyl-2-(thiophen-3-ylmethoxy)phenyl]methyl]propan-1-amine (CID 112609224) is N-[[3-methyl-2-(thiophen-3-ylmethoxy)phenyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[3-methyl-2-(thiophen-3-ylmethoxy)phenyl]methyl]propan-1-amine?
The canonical SMILES for N-[[3-methyl-2-(thiophen-3-ylmethoxy)phenyl]methyl]propan-1-amine is CCCNCc1cccc(C)c1OCc1ccsc1.
What is the InChIKey of N-[[3-methyl-2-(thiophen-3-ylmethoxy)phenyl]methyl]propan-1-amine?
The InChIKey is ZRSCSNCRZPHWTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NOS/c1-3-8-17-10-15-6-4-5-13(2)16(15)18-11-14-7-9-19-12-14/h4-7,9,12,17H,3,8,10-11H2,1-2H3.
What are the key properties of N-[[3-methyl-2-(thiophen-3-ylmethoxy)phenyl]methyl]propan-1-amine?
N-[[3-methyl-2-(thiophen-3-ylmethoxy)phenyl]methyl]propan-1-amine has a molecular weight of 275.42 g/mol, XLogP of 4.14, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-methyl-2-(thiophen-3-ylmethoxy)phenyl]methyl]propan-1-amine is sourced from PubChem (CID 112609224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).