N-(3-phenylpropyl)-1-benzothiophen-5-amine

C17H17NS — CID 43687656

IUPACN-(3-phenylpropyl)-1-benzothiophen-5-amine
SMILESc1ccc(CCCNc2ccc3sccc3c2)cc1
InChIInChI=1S/C17H17NS/c1-2-5-14(6-3-1)7-4-11-18-16-8-9-17-15(13-16)10-12-19-17/h1-3,5-6,8-10,12-13,18H,4,7,11H2
InChIKeyKNPPJFYQPHVSRD-UHFFFAOYSA-N
MW267.40 g/mol
LogP4.95
Rot. Bonds5

About N-(3-phenylpropyl)-1-benzothiophen-5-amine

N-(3-phenylpropyl)-1-benzothiophen-5-amine (PubChem CID 43687656) has the molecular formula C17H17NS and a molecular weight of 267.40 g/mol. Its IUPAC name is N-(3-phenylpropyl)-1-benzothiophen-5-amine.

Molecular Properties

Compound NameN-(3-phenylpropyl)-1-benzothiophen-5-amine
PubChem CID43687656
Molecular FormulaC17H17NS
Molecular Weight267.40 g/mol
Exact Mass267.11
IUPAC NameN-(3-phenylpropyl)-1-benzothiophen-5-amine
SMILESc1ccc(CCCNc2ccc3sccc3c2)cc1
InChIInChI=1S/C17H17NS/c1-2-5-14(6-3-1)7-4-11-18-16-8-9-17-15(13-16)10-12-19-17/h1-3,5-6,8-10,12-13,18H,4,7,11H2
InChIKeyKNPPJFYQPHVSRD-UHFFFAOYSA-N
XLogP4.95
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.40
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(1-benzothiophen-5-yl)-N',N'-dimethylpropane-1,3-diamine
CID 114525182
6-(1-benzothiophen-5-ylamino)hexanoic acid
CID 65476249
N-(4-phenylbutyl)naphthalen-2-amine
CID 114333200
N-(3-pyrrolidin-1-ylpropyl)-1-benzothiophen-5-amine
CID 65475667
N-(3-phenylprop-2-enyl)-1-benzothiophen-5-amine
CID 77070203
2-(1-benzothiophen-5-ylamino)ethanesulfonamide
CID 114385062
N-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1-benzothiophen-5-amine
CID 112589195
N-(3-phenylpropyl)thieno[3,2-c]pyridin-4-amine
CID 54931071
N-(thiophen-2-ylmethyl)-1-benzothiophen-5-amine
CID 43687735
2-methyl-4-N-(3-phenylpropyl)benzene-1,4-diamine
CID 54931234
3-(3-phenylpropylamino)phenol
CID 28722963
N-[2-(2-methoxyethoxy)ethyl]-1-benzothiophen-5-amine
CID 65473732

Frequently Asked Questions

What is the IUPAC name of N-(3-phenylpropyl)-1-benzothiophen-5-amine?
The IUPAC name of N-(3-phenylpropyl)-1-benzothiophen-5-amine (CID 43687656) is N-(3-phenylpropyl)-1-benzothiophen-5-amine.
What is the SMILES notation for N-(3-phenylpropyl)-1-benzothiophen-5-amine?
The canonical SMILES for N-(3-phenylpropyl)-1-benzothiophen-5-amine is c1ccc(CCCNc2ccc3sccc3c2)cc1.
What is the InChIKey of N-(3-phenylpropyl)-1-benzothiophen-5-amine?
The InChIKey is KNPPJFYQPHVSRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NS/c1-2-5-14(6-3-1)7-4-11-18-16-8-9-17-15(13-16)10-12-19-17/h1-3,5-6,8-10,12-13,18H,4,7,11H2.
What are the key properties of N-(3-phenylpropyl)-1-benzothiophen-5-amine?
N-(3-phenylpropyl)-1-benzothiophen-5-amine has a molecular weight of 267.40 g/mol, XLogP of 4.95, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-phenylpropyl)-1-benzothiophen-5-amine is sourced from PubChem (CID 43687656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).