N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine

C18H21NOS — CID 65444645

IUPACN-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
SMILESc1cc2c(s1)CCCC2NCCc1ccc2c(c1)CCO2
InChIInChI=1S/C18H21NOS/c1-2-16(15-8-11-21-18(15)3-1)19-9-6-13-4-5-17-14(12-13)7-10-20-17/h4-5,8,11-12,16,19H,1-3,6-7,9-10H2
InChIKeyPBEONVVJXSMTQE-UHFFFAOYSA-N
MW299.44 g/mol
LogP3.89
Rot. Bonds4

About N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine

N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine (PubChem CID 65444645) has the molecular formula C18H21NOS and a molecular weight of 299.44 g/mol. Its IUPAC name is N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine.

Molecular Properties

Compound NameN-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
PubChem CID65444645
Molecular FormulaC18H21NOS
Molecular Weight299.44 g/mol
Exact Mass299.13
IUPAC NameN-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
SMILESc1cc2c(s1)CCCC2NCCc1ccc2c(c1)CCO2
InChIInChI=1S/C18H21NOS/c1-2-16(15-8-11-21-18(15)3-1)19-9-6-13-4-5-17-14(12-13)7-10-20-17/h4-5,8,11-12,16,19H,1-3,6-7,9-10H2
InChIKeyPBEONVVJXSMTQE-UHFFFAOYSA-N
XLogP3.89
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]oxan-3-amine
CID 65447112
[2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]cyclohexyl]methanol
CID 104934379
N-(3-phenylpropyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 55122196
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-methylpiperidin-4-amine
CID 65431601
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2,2-dimethylcyclopentan-1-amine
CID 79870440
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1,1-dioxothian-4-amine
CID 65431787
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-methoxycyclopentan-1-amine
CID 65446730
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-methylpropan-2-amine
CID 64866852
N'-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)propane-1,3-diamine
CID 62842141
4-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)butan-1-ol
CID 62839946
N-[(3-chloro-4-methylphenyl)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 106816796
trans-(1R,2R)-2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]cycloheptane-1-carboxamide
CID 99633719

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine?
The IUPAC name of N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine (CID 65444645) is N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine.
What is the SMILES notation for N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine?
The canonical SMILES for N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine is c1cc2c(s1)CCCC2NCCc1ccc2c(c1)CCO2.
What is the InChIKey of N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine?
The InChIKey is PBEONVVJXSMTQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NOS/c1-2-16(15-8-11-21-18(15)3-1)19-9-6-13-4-5-17-14(12-13)7-10-20-17/h4-5,8,11-12,16,19H,1-3,6-7,9-10H2.
What are the key properties of N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine?
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine has a molecular weight of 299.44 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine is sourced from PubChem (CID 65444645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).