N-[(2-ethoxyphenyl)-(3-ethylthiophen-2-yl)methyl]propan-1-amine

C18H25NOS — CID 115853680

IUPACN-[(2-ethoxyphenyl)-(3-ethylthiophen-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccccc1OCC)c1sccc1CC
InChIInChI=1S/C18H25NOS/c1-4-12-19-17(18-14(5-2)11-13-21-18)15-9-7-8-10-16(15)20-6-3/h7-11,13,17,19H,4-6,12H2,1-3H3
InChIKeyNBNKVRSVBPPVBC-UHFFFAOYSA-N
MW303.47 g/mol
LogP4.80
Rot. Bonds8

About N-[(2-ethoxyphenyl)-(3-ethylthiophen-2-yl)methyl]propan-1-amine

N-[(2-ethoxyphenyl)-(3-ethylthiophen-2-yl)methyl]propan-1-amine (PubChem CID 115853680) has the molecular formula C18H25NOS and a molecular weight of 303.47 g/mol. Its IUPAC name is N-[(2-ethoxyphenyl)-(3-ethylthiophen-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2-ethoxyphenyl)-(3-ethylthiophen-2-yl)methyl]propan-1-amine
PubChem CID115853680
Molecular FormulaC18H25NOS
Molecular Weight303.47 g/mol
Exact Mass303.17
IUPAC NameN-[(2-ethoxyphenyl)-(3-ethylthiophen-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccccc1OCC)c1sccc1CC
InChIInChI=1S/C18H25NOS/c1-4-12-19-17(18-14(5-2)11-13-21-18)15-9-7-8-10-16(15)20-6-3/h7-11,13,17,19H,4-6,12H2,1-3H3
InChIKeyNBNKVRSVBPPVBC-UHFFFAOYSA-N
XLogP4.80
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.47
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-ethylthiophen-2-yl)-(5-fluoro-2-methoxyphenyl)methyl]propan-1-amine
CID 79973511
N-[1-benzothiophen-3-yl-(3-ethylthiophen-2-yl)methyl]propan-1-amine
CID 79973512
N-[(2-ethoxyphenyl)-(4-ethylthiadiazol-5-yl)methyl]propan-1-amine
CID 105145067
N-[(3-ethylthiophen-2-yl)-(2,4,5-trifluorophenyl)methyl]propan-1-amine
CID 103302882
N-[(2-chlorophenyl)-(2-ethoxyphenyl)methyl]propan-1-amine
CID 63415844
N-[(5-bromo-2-ethoxyphenyl)-(3-ethylthiophen-2-yl)methyl]ethanamine
CID 79972309
N-[(3-chlorothiophen-2-yl)-(2-propan-2-yloxyphenyl)methyl]propan-1-amine
CID 105018339
N-[(3-ethylthiophen-2-yl)-(4-methoxyphenyl)methyl]propan-1-amine
CID 79985142
N-[(3-chlorothiophen-2-yl)-[2-(difluoromethoxy)phenyl]methyl]propan-1-amine
CID 80528847
N-[(2-ethoxyphenyl)-pyridin-4-ylmethyl]propan-1-amine
CID 62802224
N-[(2-methoxyphenyl)-(1,3-thiazol-2-yl)methyl]propan-1-amine
CID 61330443
N-[1-benzofuran-2-yl-(3-ethylthiophen-2-yl)methyl]propan-1-amine
CID 105044087

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethoxyphenyl)-(3-ethylthiophen-2-yl)methyl]propan-1-amine?
The IUPAC name of N-[(2-ethoxyphenyl)-(3-ethylthiophen-2-yl)methyl]propan-1-amine (CID 115853680) is N-[(2-ethoxyphenyl)-(3-ethylthiophen-2-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(2-ethoxyphenyl)-(3-ethylthiophen-2-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(2-ethoxyphenyl)-(3-ethylthiophen-2-yl)methyl]propan-1-amine is CCCNC(c1ccccc1OCC)c1sccc1CC.
What is the InChIKey of N-[(2-ethoxyphenyl)-(3-ethylthiophen-2-yl)methyl]propan-1-amine?
The InChIKey is NBNKVRSVBPPVBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NOS/c1-4-12-19-17(18-14(5-2)11-13-21-18)15-9-7-8-10-16(15)20-6-3/h7-11,13,17,19H,4-6,12H2,1-3H3.
What are the key properties of N-[(2-ethoxyphenyl)-(3-ethylthiophen-2-yl)methyl]propan-1-amine?
N-[(2-ethoxyphenyl)-(3-ethylthiophen-2-yl)methyl]propan-1-amine has a molecular weight of 303.47 g/mol, XLogP of 4.80, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethoxyphenyl)-(3-ethylthiophen-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 115853680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).