N-[cyclopropyl(phenyl)methyl]-1-benzothiophen-5-amine

C18H17NS — CID 63434078

IUPACN-[cyclopropyl(phenyl)methyl]-1-benzothiophen-5-amine
SMILESc1ccc(C(Nc2ccc3sccc3c2)C2CC2)cc1
InChIInChI=1S/C18H17NS/c1-2-4-13(5-3-1)18(14-6-7-14)19-16-8-9-17-15(12-16)10-11-20-17/h1-5,8-12,14,18-19H,6-7H2
InChIKeyHGCXTNGENFYXGS-UHFFFAOYSA-N
MW279.41 g/mol
LogP5.46
Rot. Bonds4

About N-[cyclopropyl(phenyl)methyl]-1-benzothiophen-5-amine

N-[cyclopropyl(phenyl)methyl]-1-benzothiophen-5-amine (PubChem CID 63434078) has the molecular formula C18H17NS and a molecular weight of 279.41 g/mol. Its IUPAC name is N-[cyclopropyl(phenyl)methyl]-1-benzothiophen-5-amine.

Molecular Properties

Compound NameN-[cyclopropyl(phenyl)methyl]-1-benzothiophen-5-amine
PubChem CID63434078
Molecular FormulaC18H17NS
Molecular Weight279.41 g/mol
Exact Mass279.11
IUPAC NameN-[cyclopropyl(phenyl)methyl]-1-benzothiophen-5-amine
SMILESc1ccc(C(Nc2ccc3sccc3c2)C2CC2)cc1
InChIInChI=1S/C18H17NS/c1-2-4-13(5-3-1)18(14-6-7-14)19-16-8-9-17-15(12-16)10-11-20-17/h1-5,8-12,14,18-19H,6-7H2
InChIKeyHGCXTNGENFYXGS-UHFFFAOYSA-N
XLogP5.46
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500279.41
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-benzothiophen-5-ylamino)-2-cyclopropylacetic acid
CID 103252360
N-(1-benzothiophen-5-yl)-2,2-diphenylacetamide
CID 3632850
N-(1-cyclohexylethyl)-1-benzothiophen-5-amine
CID 43781950
4-bromo-N-[cyclopropyl(phenyl)methyl]aniline
CID 63422798
4-[[cyclopropyl(phenyl)methyl]amino]phenol
CID 61313766
N-(1-phenylpentyl)-1-benzothiophen-5-amine
CID 43781957
N-[cyclopropyl(phenyl)methyl]-2,3-dihydro-1-benzofuran-5-amine
CID 61313159
3,5-dichloro-N-[cyclopropyl(phenyl)methyl]aniline
CID 63422408
2-chloro-5-[[cyclopropyl(phenyl)methyl]amino]benzamide
CID 61314159
N-(dithiophen-2-ylmethyl)-1-benzothiophen-5-amine
CID 43781971
3,5-dichloro-N-[cyclopropyl(phenyl)methyl]-4-fluoroaniline
CID 107572890
(2R)-2-amino-N-(1-benzothiophen-5-yl)-2-phenylacetamide
CID 61179816

Frequently Asked Questions

What is the IUPAC name of N-[cyclopropyl(phenyl)methyl]-1-benzothiophen-5-amine?
The IUPAC name of N-[cyclopropyl(phenyl)methyl]-1-benzothiophen-5-amine (CID 63434078) is N-[cyclopropyl(phenyl)methyl]-1-benzothiophen-5-amine.
What is the SMILES notation for N-[cyclopropyl(phenyl)methyl]-1-benzothiophen-5-amine?
The canonical SMILES for N-[cyclopropyl(phenyl)methyl]-1-benzothiophen-5-amine is c1ccc(C(Nc2ccc3sccc3c2)C2CC2)cc1.
What is the InChIKey of N-[cyclopropyl(phenyl)methyl]-1-benzothiophen-5-amine?
The InChIKey is HGCXTNGENFYXGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NS/c1-2-4-13(5-3-1)18(14-6-7-14)19-16-8-9-17-15(12-16)10-11-20-17/h1-5,8-12,14,18-19H,6-7H2.
What are the key properties of N-[cyclopropyl(phenyl)methyl]-1-benzothiophen-5-amine?
N-[cyclopropyl(phenyl)methyl]-1-benzothiophen-5-amine has a molecular weight of 279.41 g/mol, XLogP of 5.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopropyl(phenyl)methyl]-1-benzothiophen-5-amine is sourced from PubChem (CID 63434078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).