N-[[4-(2-methoxyethyl)phenyl]-thiophen-3-ylmethyl]propan-1-amine

C17H23NOS — CID 43495365

IUPACN-[[4-(2-methoxyethyl)phenyl]-thiophen-3-ylmethyl]propan-1-amine
SMILESCCCNC(c1ccc(CCOC)cc1)c1ccsc1
InChIInChI=1S/C17H23NOS/c1-3-10-18-17(16-9-12-20-13-16)15-6-4-14(5-7-15)8-11-19-2/h4-7,9,12-13,17-18H,3,8,10-11H2,1-2H3
InChIKeyCDXSYBHVHDTNCB-UHFFFAOYSA-N
MW289.44 g/mol
LogP4.03
Rot. Bonds8

About N-[[4-(2-methoxyethyl)phenyl]-thiophen-3-ylmethyl]propan-1-amine

N-[[4-(2-methoxyethyl)phenyl]-thiophen-3-ylmethyl]propan-1-amine (PubChem CID 43495365) has the molecular formula C17H23NOS and a molecular weight of 289.44 g/mol. Its IUPAC name is N-[[4-(2-methoxyethyl)phenyl]-thiophen-3-ylmethyl]propan-1-amine.

Molecular Properties

Compound NameN-[[4-(2-methoxyethyl)phenyl]-thiophen-3-ylmethyl]propan-1-amine
PubChem CID43495365
Molecular FormulaC17H23NOS
Molecular Weight289.44 g/mol
Exact Mass289.15
IUPAC NameN-[[4-(2-methoxyethyl)phenyl]-thiophen-3-ylmethyl]propan-1-amine
SMILESCCCNC(c1ccc(CCOC)cc1)c1ccsc1
InChIInChI=1S/C17H23NOS/c1-3-10-18-17(16-9-12-20-13-16)15-6-4-14(5-7-15)8-11-19-2/h4-7,9,12-13,17-18H,3,8,10-11H2,1-2H3
InChIKeyCDXSYBHVHDTNCB-UHFFFAOYSA-N
XLogP4.03
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.44
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(2-methoxyethyl)phenyl]-(4-methylthiophen-3-yl)methyl]propan-1-amine
CID 79810445
N-[(3-chloro-4-methoxyphenyl)-thiophen-3-ylmethyl]propan-1-amine
CID 43494415
N-[(3-methoxy-4-methylphenyl)-thiophen-3-ylmethyl]propan-1-amine
CID 104988346
N-[(4-methoxyphenyl)-thiophen-3-ylmethyl]ethanamine
CID 43489158
N-[(3-chlorothiophen-2-yl)-thiophen-3-ylmethyl]propan-1-amine
CID 80529345
N-[(5-methylthiophen-3-yl)-thiophen-3-ylmethyl]propan-1-amine
CID 65104445
N-[cyclopentyl-[4-(2-methoxyethyl)phenyl]methyl]propan-1-amine
CID 43495393
N-[(2,4-dimethoxyphenyl)-thiophen-3-ylmethyl]propan-1-amine
CID 43496041
N-[(5-bromo-2-methoxyphenyl)-thiophen-3-ylmethyl]propan-1-amine
CID 43493887
N-(2-methoxyethyl)-1-thiophen-3-ylethanamine
CID 53274740
N-[(4-propylphenyl)-pyrimidin-5-ylmethyl]propan-1-amine
CID 102923416
N-[[4-(2-methylpropyl)phenyl]-thiophen-3-ylmethyl]ethanamine
CID 43488230

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-methoxyethyl)phenyl]-thiophen-3-ylmethyl]propan-1-amine?
The IUPAC name of N-[[4-(2-methoxyethyl)phenyl]-thiophen-3-ylmethyl]propan-1-amine (CID 43495365) is N-[[4-(2-methoxyethyl)phenyl]-thiophen-3-ylmethyl]propan-1-amine.
What is the SMILES notation for N-[[4-(2-methoxyethyl)phenyl]-thiophen-3-ylmethyl]propan-1-amine?
The canonical SMILES for N-[[4-(2-methoxyethyl)phenyl]-thiophen-3-ylmethyl]propan-1-amine is CCCNC(c1ccc(CCOC)cc1)c1ccsc1.
What is the InChIKey of N-[[4-(2-methoxyethyl)phenyl]-thiophen-3-ylmethyl]propan-1-amine?
The InChIKey is CDXSYBHVHDTNCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NOS/c1-3-10-18-17(16-9-12-20-13-16)15-6-4-14(5-7-15)8-11-19-2/h4-7,9,12-13,17-18H,3,8,10-11H2,1-2H3.
What are the key properties of N-[[4-(2-methoxyethyl)phenyl]-thiophen-3-ylmethyl]propan-1-amine?
N-[[4-(2-methoxyethyl)phenyl]-thiophen-3-ylmethyl]propan-1-amine has a molecular weight of 289.44 g/mol, XLogP of 4.03, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-methoxyethyl)phenyl]-thiophen-3-ylmethyl]propan-1-amine is sourced from PubChem (CID 43495365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).