(1R)-N-[1-(5-ethylthiophen-2-yl)ethyl]-1-phenylethanamine

C16H21NS — CID 81351461

IUPAC(1R)-N-[1-(5-ethylthiophen-2-yl)ethyl]-1-phenylethanamine
SMILESCCc1ccc(C(C)N[C@H](C)c2ccccc2)s1
InChIInChI=1S/C16H21NS/c1-4-15-10-11-16(18-15)13(3)17-12(2)14-8-6-5-7-9-14/h5-13,17H,4H2,1-3H3/t12-,13?/m1/s1
InChIKeyXKCCEXURGDMSLS-PZORYLMUSA-N
MW259.42 g/mol
LogP4.72
Rot. Bonds5

About (1R)-N-[1-(5-ethylthiophen-2-yl)ethyl]-1-phenylethanamine

(1R)-N-[1-(5-ethylthiophen-2-yl)ethyl]-1-phenylethanamine (PubChem CID 81351461) has the molecular formula C16H21NS and a molecular weight of 259.42 g/mol. Its IUPAC name is (1R)-N-[1-(5-ethylthiophen-2-yl)ethyl]-1-phenylethanamine.

Molecular Properties

Compound Name(1R)-N-[1-(5-ethylthiophen-2-yl)ethyl]-1-phenylethanamine
PubChem CID81351461
Molecular FormulaC16H21NS
Molecular Weight259.42 g/mol
Exact Mass259.14
IUPAC Name(1R)-N-[1-(5-ethylthiophen-2-yl)ethyl]-1-phenylethanamine
SMILESCCc1ccc(C(C)N[C@H](C)c2ccccc2)s1
InChIInChI=1S/C16H21NS/c1-4-15-10-11-16(18-15)13(3)17-12(2)14-8-6-5-7-9-14/h5-13,17H,4H2,1-3H3/t12-,13?/m1/s1
InChIKeyXKCCEXURGDMSLS-PZORYLMUSA-N
XLogP4.72
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.42
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(5-ethylthiophen-2-yl)ethyl]-1-(4-methoxyphenyl)ethanamine
CID 66241993
(1R)-1-(3-bromophenyl)-N-[1-(5-ethylthiophen-2-yl)ethyl]ethanamine
CID 81382264
N-[1-(5-ethylthiophen-2-yl)ethyl]-1-pyridin-2-ylethanamine
CID 61333360
2-benzhydryl-5-ethylthiophene
CID 177490577
(1R)-1-(5-ethylthiophen-2-yl)-N-methylethanamine
CID 55277214
[(5-ethylthiophen-2-yl)-phenylmethyl]hydrazine
CID 105282884
2-N-[1-(5-ethylthiophen-2-yl)ethyl]-1-N,1-N-dimethylpropane-1,2-diamine
CID 82945989
(3R)-3-[1-(5-ethylthiophen-2-yl)ethylamino]butan-1-ol
CID 103871723
1-(4-chlorophenyl)-N-[1-(5-ethylthiophen-2-yl)ethyl]propan-1-amine
CID 63431464
2-[1-(5-ethylthiophen-2-yl)ethylamino]pentanoic acid
CID 65055468
1-(2,4-dimethylphenyl)-N-[1-(5-ethylthiophen-2-yl)ethyl]ethanamine
CID 61334358
2-[1-(5-ethylthiophen-2-yl)ethylamino]-N-methylpropanamide
CID 61464605

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[1-(5-ethylthiophen-2-yl)ethyl]-1-phenylethanamine?
The IUPAC name of (1R)-N-[1-(5-ethylthiophen-2-yl)ethyl]-1-phenylethanamine (CID 81351461) is (1R)-N-[1-(5-ethylthiophen-2-yl)ethyl]-1-phenylethanamine.
What is the SMILES notation for (1R)-N-[1-(5-ethylthiophen-2-yl)ethyl]-1-phenylethanamine?
The canonical SMILES for (1R)-N-[1-(5-ethylthiophen-2-yl)ethyl]-1-phenylethanamine is CCc1ccc(C(C)N[C@H](C)c2ccccc2)s1.
What is the InChIKey of (1R)-N-[1-(5-ethylthiophen-2-yl)ethyl]-1-phenylethanamine?
The InChIKey is XKCCEXURGDMSLS-PZORYLMUSA-N. The full InChI is InChI=1S/C16H21NS/c1-4-15-10-11-16(18-15)13(3)17-12(2)14-8-6-5-7-9-14/h5-13,17H,4H2,1-3H3/t12-,13?/m1/s1.
What are the key properties of (1R)-N-[1-(5-ethylthiophen-2-yl)ethyl]-1-phenylethanamine?
(1R)-N-[1-(5-ethylthiophen-2-yl)ethyl]-1-phenylethanamine has a molecular weight of 259.42 g/mol, XLogP of 4.72, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[1-(5-ethylthiophen-2-yl)ethyl]-1-phenylethanamine is sourced from PubChem (CID 81351461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).