(2R)-1-(2-benzothiophen-1-yl)-N-propylpentan-2-amine;hydrochloride

C16H24ClNS — CID 67425572

IUPAC(2R)-1-(2-benzothiophen-1-yl)-N-propylpentan-2-amine;hydrochloride
SMILESCCCN[C@H](CCC)Cc1scc2ccccc12.Cl
InChIInChI=1S/C16H23NS.ClH/c1-3-7-14(17-10-4-2)11-16-15-9-6-5-8-13(15)12-18-16;/h5-6,8-9,12,14,17H,3-4,7,10-11H2,1-2H3;1H/t14-;/m1./s1
InChIKeyMDPOFVILEMUBFZ-PFEQFJNWSA-N
MW297.89 g/mol
LogP5.03
Rot. Bonds7

About (2R)-1-(2-benzothiophen-1-yl)-N-propylpentan-2-amine;hydrochloride

(2R)-1-(2-benzothiophen-1-yl)-N-propylpentan-2-amine;hydrochloride (PubChem CID 67425572) has the molecular formula C16H24ClNS and a molecular weight of 297.89 g/mol. Its IUPAC name is (2R)-1-(2-benzothiophen-1-yl)-N-propylpentan-2-amine;hydrochloride.

Molecular Properties

Compound Name(2R)-1-(2-benzothiophen-1-yl)-N-propylpentan-2-amine;hydrochloride
PubChem CID67425572
Molecular FormulaC16H24ClNS
Molecular Weight297.89 g/mol
Exact Mass297.13
IUPAC Name(2R)-1-(2-benzothiophen-1-yl)-N-propylpentan-2-amine;hydrochloride
SMILESCCCN[C@H](CCC)Cc1scc2ccccc12.Cl
InChIInChI=1S/C16H23NS.ClH/c1-3-7-14(17-10-4-2)11-16-15-9-6-5-8-13(15)12-18-16;/h5-6,8-9,12,14,17H,3-4,7,10-11H2,1-2H3;1H/t14-;/m1./s1
InChIKeyMDPOFVILEMUBFZ-PFEQFJNWSA-N
XLogP5.03
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.89
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-benzothiophen-1-yl)-N-propylpentan-2-amine;hydrochloride
CID 22007063
N-propyl-1-quinolin-2-ylpentan-2-amine
CID 63198598
1-methoxy-3-naphthalen-1-yl-N-propylpropan-2-amine
CID 55095273
1-(6-methoxynaphthalen-2-yl)-N-propylpentan-2-amine
CID 22007044
N-propyl-1-quinoxalin-2-ylpentan-2-amine
CID 63198228
1-(2-methyl-1,3-thiazol-4-yl)-4-phenyl-N-propylbutan-2-amine
CID 62798101
4-methoxy-1-(4-phenyl-1,3-thiazol-2-yl)-N-propylbutan-2-amine
CID 79825345
(2R)-1-N-[(2S)-1-amino-3-phenylpropan-2-yl]-2-N-propylpentane-1,2-diamine
CID 10588599
1-naphthalen-2-ylsulfanyl-N-propylpentan-2-amine
CID 64648095
N-propyl-1-(1,2,4-thiadiazol-5-yl)pentan-2-amine
CID 65280543
1-(4-methoxyphenyl)-N-propyl-4-thiophen-2-ylbutan-2-amine
CID 63775376
1-(3-bromothiophen-2-yl)-5-phenyl-N-propylpentan-2-amine
CID 105139445

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(2-benzothiophen-1-yl)-N-propylpentan-2-amine;hydrochloride?
The IUPAC name of (2R)-1-(2-benzothiophen-1-yl)-N-propylpentan-2-amine;hydrochloride (CID 67425572) is (2R)-1-(2-benzothiophen-1-yl)-N-propylpentan-2-amine;hydrochloride.
What is the SMILES notation for (2R)-1-(2-benzothiophen-1-yl)-N-propylpentan-2-amine;hydrochloride?
The canonical SMILES for (2R)-1-(2-benzothiophen-1-yl)-N-propylpentan-2-amine;hydrochloride is CCCN[C@H](CCC)Cc1scc2ccccc12.Cl.
What is the InChIKey of (2R)-1-(2-benzothiophen-1-yl)-N-propylpentan-2-amine;hydrochloride?
The InChIKey is MDPOFVILEMUBFZ-PFEQFJNWSA-N. The full InChI is InChI=1S/C16H23NS.ClH/c1-3-7-14(17-10-4-2)11-16-15-9-6-5-8-13(15)12-18-16;/h5-6,8-9,12,14,17H,3-4,7,10-11H2,1-2H3;1H/t14-;/m1./s1.
What are the key properties of (2R)-1-(2-benzothiophen-1-yl)-N-propylpentan-2-amine;hydrochloride?
(2R)-1-(2-benzothiophen-1-yl)-N-propylpentan-2-amine;hydrochloride has a molecular weight of 297.89 g/mol, XLogP of 5.03, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(2-benzothiophen-1-yl)-N-propylpentan-2-amine;hydrochloride is sourced from PubChem (CID 67425572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).