(1R)-N-[1-(3-methyl-1-benzothiophen-2-yl)ethyl]-1-phenylethanamine

C19H21NS — CID 81351876

IUPAC(1R)-N-[1-(3-methyl-1-benzothiophen-2-yl)ethyl]-1-phenylethanamine
SMILESCc1c(C(C)N[C@H](C)c2ccccc2)sc2ccccc12
InChIInChI=1S/C19H21NS/c1-13-17-11-7-8-12-18(17)21-19(13)15(3)20-14(2)16-9-5-4-6-10-16/h4-12,14-15,20H,1-3H3/t14-,15?/m1/s1
InChIKeyWKPDAZQJZNSUEP-GICMACPYSA-N
MW295.45 g/mol
LogP5.62
Rot. Bonds4

About (1R)-N-[1-(3-methyl-1-benzothiophen-2-yl)ethyl]-1-phenylethanamine

(1R)-N-[1-(3-methyl-1-benzothiophen-2-yl)ethyl]-1-phenylethanamine (PubChem CID 81351876) has the molecular formula C19H21NS and a molecular weight of 295.45 g/mol. Its IUPAC name is (1R)-N-[1-(3-methyl-1-benzothiophen-2-yl)ethyl]-1-phenylethanamine.

Molecular Properties

Compound Name(1R)-N-[1-(3-methyl-1-benzothiophen-2-yl)ethyl]-1-phenylethanamine
PubChem CID81351876
Molecular FormulaC19H21NS
Molecular Weight295.45 g/mol
Exact Mass295.14
IUPAC Name(1R)-N-[1-(3-methyl-1-benzothiophen-2-yl)ethyl]-1-phenylethanamine
SMILESCc1c(C(C)N[C@H](C)c2ccccc2)sc2ccccc12
InChIInChI=1S/C19H21NS/c1-13-17-11-7-8-12-18(17)21-19(13)15(3)20-14(2)16-9-5-4-6-10-16/h4-12,14-15,20H,1-3H3/t14-,15?/m1/s1
InChIKeyWKPDAZQJZNSUEP-GICMACPYSA-N
XLogP5.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.45
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-N-[1-(3-methyl-1-benzothiophen-2-yl)ethyl]-1-pyridin-3-ylethanamine
CID 81391934
N-[1-(3-methyl-1-benzothiophen-2-yl)ethyl]hydroxylamine
CID 82684826
N-[1-(3-methyl-1-benzothiophen-2-yl)ethyl]but-3-yn-2-amine
CID 114415554
(1S)-N-[1-(3-methyl-1-benzothiophen-2-yl)ethyl]-1-pyridin-2-ylethanamine
CID 81392899
N-[1-(3-methyl-1-benzothiophen-2-yl)ethyl]pent-4-yn-2-amine
CID 113477222
1-(3-methyl-1-benzothiophen-2-yl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]ethanamine
CID 106282077
3-methyl-N-[1-(3-methyl-1-benzothiophen-2-yl)ethyl]butan-1-amine
CID 43760500
4-[1-(3-methyl-1-benzothiophen-2-yl)ethylamino]phenol
CID 43790401
N-[1-(3-methyl-1-benzothiophen-2-yl)ethyl]cyclobutanamine
CID 62415142
N-[1-(3-methyl-1-benzothiophen-2-yl)ethyl]hex-1-yn-3-amine
CID 106226743
3-[1-(3-methyl-1-benzothiophen-2-yl)ethylamino]propan-1-ol
CID 43770603
(1R)-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-phenylethanamine
CID 81351065

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[1-(3-methyl-1-benzothiophen-2-yl)ethyl]-1-phenylethanamine?
The IUPAC name of (1R)-N-[1-(3-methyl-1-benzothiophen-2-yl)ethyl]-1-phenylethanamine (CID 81351876) is (1R)-N-[1-(3-methyl-1-benzothiophen-2-yl)ethyl]-1-phenylethanamine.
What is the SMILES notation for (1R)-N-[1-(3-methyl-1-benzothiophen-2-yl)ethyl]-1-phenylethanamine?
The canonical SMILES for (1R)-N-[1-(3-methyl-1-benzothiophen-2-yl)ethyl]-1-phenylethanamine is Cc1c(C(C)N[C@H](C)c2ccccc2)sc2ccccc12.
What is the InChIKey of (1R)-N-[1-(3-methyl-1-benzothiophen-2-yl)ethyl]-1-phenylethanamine?
The InChIKey is WKPDAZQJZNSUEP-GICMACPYSA-N. The full InChI is InChI=1S/C19H21NS/c1-13-17-11-7-8-12-18(17)21-19(13)15(3)20-14(2)16-9-5-4-6-10-16/h4-12,14-15,20H,1-3H3/t14-,15?/m1/s1.
What are the key properties of (1R)-N-[1-(3-methyl-1-benzothiophen-2-yl)ethyl]-1-phenylethanamine?
(1R)-N-[1-(3-methyl-1-benzothiophen-2-yl)ethyl]-1-phenylethanamine has a molecular weight of 295.45 g/mol, XLogP of 5.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[1-(3-methyl-1-benzothiophen-2-yl)ethyl]-1-phenylethanamine is sourced from PubChem (CID 81351876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).