N-[(3-propyl-1-benzothiophen-2-yl)methyl]propan-2-amine

C15H21NS — CID 114378013

IUPACN-[(3-propyl-1-benzothiophen-2-yl)methyl]propan-2-amine
SMILESCCCc1c(CNC(C)C)sc2ccccc12
InChIInChI=1S/C15H21NS/c1-4-7-12-13-8-5-6-9-14(13)17-15(12)10-16-11(2)3/h5-6,8-9,11,16H,4,7,10H2,1-3H3
InChIKeyPPVOMBCEJYKLOU-UHFFFAOYSA-N
MW247.41 g/mol
LogP4.35
Rot. Bonds5

About N-[(3-propyl-1-benzothiophen-2-yl)methyl]propan-2-amine

N-[(3-propyl-1-benzothiophen-2-yl)methyl]propan-2-amine (PubChem CID 114378013) has the molecular formula C15H21NS and a molecular weight of 247.41 g/mol. Its IUPAC name is N-[(3-propyl-1-benzothiophen-2-yl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(3-propyl-1-benzothiophen-2-yl)methyl]propan-2-amine
PubChem CID114378013
Molecular FormulaC15H21NS
Molecular Weight247.41 g/mol
Exact Mass247.14
IUPAC NameN-[(3-propyl-1-benzothiophen-2-yl)methyl]propan-2-amine
SMILESCCCc1c(CNC(C)C)sc2ccccc12
InChIInChI=1S/C15H21NS/c1-4-7-12-13-8-5-6-9-14(13)17-15(12)10-16-11(2)3/h5-6,8-9,11,16H,4,7,10H2,1-3H3
InChIKeyPPVOMBCEJYKLOU-UHFFFAOYSA-N
XLogP4.35
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.41
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[3-(propoxymethyl)-1-benzothiophen-2-yl]methyl]propan-2-amine
CID 62451509
N-[(5,6-dimethyl-3-propyl-1-benzothiophen-2-yl)methyl]propan-2-amine
CID 114378175
N-[(7-fluoro-3-propyl-1-benzothiophen-2-yl)methyl]propan-2-amine
CID 114378107
N-[[3-(2-methoxyethoxymethyl)-1-benzothiophen-2-yl]methyl]propan-2-amine
CID 62456910
N-[[3-(imidazol-1-ylmethyl)-1-benzothiophen-2-yl]methyl]propan-2-amine
CID 62448315
N-[[3-(cyclopentyloxymethyl)-1-benzothiophen-2-yl]methyl]propan-2-amine
CID 62444036
N-[(5,7-difluoro-3-propyl-1-benzothiophen-2-yl)methyl]propan-2-amine
CID 114378266
3-propyl-1-benzothiophen-2-ol
CID 69483518
2,3-dipropylthiochromen-4-one
CID 101499421
3-(1-ethoxyethyl)-2-propyl-1-benzothiophene
CID 101433467
N-[(3-chloro-1-benzothiophen-2-yl)methyl]hexan-2-amine
CID 63477967
N-[(5-tert-butyl-3-propan-2-yl-1-benzothiophen-2-yl)methyl]propan-2-amine
CID 114377863

Frequently Asked Questions

What is the IUPAC name of N-[(3-propyl-1-benzothiophen-2-yl)methyl]propan-2-amine?
The IUPAC name of N-[(3-propyl-1-benzothiophen-2-yl)methyl]propan-2-amine (CID 114378013) is N-[(3-propyl-1-benzothiophen-2-yl)methyl]propan-2-amine.
What is the SMILES notation for N-[(3-propyl-1-benzothiophen-2-yl)methyl]propan-2-amine?
The canonical SMILES for N-[(3-propyl-1-benzothiophen-2-yl)methyl]propan-2-amine is CCCc1c(CNC(C)C)sc2ccccc12.
What is the InChIKey of N-[(3-propyl-1-benzothiophen-2-yl)methyl]propan-2-amine?
The InChIKey is PPVOMBCEJYKLOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NS/c1-4-7-12-13-8-5-6-9-14(13)17-15(12)10-16-11(2)3/h5-6,8-9,11,16H,4,7,10H2,1-3H3.
What are the key properties of N-[(3-propyl-1-benzothiophen-2-yl)methyl]propan-2-amine?
N-[(3-propyl-1-benzothiophen-2-yl)methyl]propan-2-amine has a molecular weight of 247.41 g/mol, XLogP of 4.35, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-propyl-1-benzothiophen-2-yl)methyl]propan-2-amine is sourced from PubChem (CID 114378013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).