N-[[2-[(5-chlorothiophen-2-yl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]cyclopropanamine

C16H22ClNS — CID 63522529

IUPACN-[[2-[(5-chlorothiophen-2-yl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]cyclopropanamine
SMILESClc1ccc(CC2(CNC3CC3)CC3CCC2C3)s1
InChIInChI=1S/C16H22ClNS/c17-15-6-5-14(19-15)9-16(10-18-13-3-4-13)8-11-1-2-12(16)7-11/h5-6,11-13,18H,1-4,7-10H2
InChIKeyDQQZWAWKHSEXHS-UHFFFAOYSA-N
MW295.88 g/mol
LogP4.50
Rot. Bonds5

About N-[[2-[(5-chlorothiophen-2-yl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]cyclopropanamine

N-[[2-[(5-chlorothiophen-2-yl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]cyclopropanamine (PubChem CID 63522529) has the molecular formula C16H22ClNS and a molecular weight of 295.88 g/mol. Its IUPAC name is N-[[2-[(5-chlorothiophen-2-yl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-[(5-chlorothiophen-2-yl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]cyclopropanamine
PubChem CID63522529
Molecular FormulaC16H22ClNS
Molecular Weight295.88 g/mol
Exact Mass295.12
IUPAC NameN-[[2-[(5-chlorothiophen-2-yl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]cyclopropanamine
SMILESClc1ccc(CC2(CNC3CC3)CC3CCC2C3)s1
InChIInChI=1S/C16H22ClNS/c17-15-6-5-14(19-15)9-16(10-18-13-3-4-13)8-11-1-2-12(16)7-11/h5-6,11-13,18H,1-4,7-10H2
InChIKeyDQQZWAWKHSEXHS-UHFFFAOYSA-N
XLogP4.50
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.88
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[[2-[(5-chlorothiophen-2-yl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]cyclopropanamine with MolForge

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Related Compounds

N-[[2-[(5-chlorothiophen-2-yl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]-2-methylpropan-2-amine
CID 63521834
N-[[2-[(2,6-dichlorophenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]cyclopropanamine
CID 63522182
N-[[2-[(2-chloro-3-fluorophenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]cyclopropanamine
CID 115984206
N-[[2-[(5-ethylthiophen-2-yl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]ethanamine
CID 63521635
N-[[2-(2-thiophen-2-ylethyl)-2-bicyclo[2.2.1]heptanyl]methyl]cyclopropanamine
CID 63775029
N-[[2-[(3-bromophenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]cyclopropanamine
CID 63521474
N-[[2-[(3-bromo-5-fluorophenyl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]cyclopropanamine
CID 79697122
N-[[2-(phenylmethoxymethyl)-2-bicyclo[2.2.1]heptanyl]methyl]cyclopropanamine
CID 102940477
N-[[2-(3-methylbutyl)-2-bicyclo[2.2.1]heptanyl]methyl]cyclopropanamine
CID 63521653
N-[3-(5-chlorothiophen-2-yl)propyl]cyclopropanamine
CID 62528423
1-[2-[(2,4-dichlorophenyl)methyl]-2-bicyclo[2.2.1]heptanyl]-N-methylmethanamine
CID 55197369
N-[6-(5-chlorothiophen-2-yl)hexyl]cyclopropanamine
CID 65308853

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(5-chlorothiophen-2-yl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-[(5-chlorothiophen-2-yl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]cyclopropanamine (CID 63522529) is N-[[2-[(5-chlorothiophen-2-yl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-[(5-chlorothiophen-2-yl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-[(5-chlorothiophen-2-yl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]cyclopropanamine is Clc1ccc(CC2(CNC3CC3)CC3CCC2C3)s1.
What is the InChIKey of N-[[2-[(5-chlorothiophen-2-yl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]cyclopropanamine?
The InChIKey is DQQZWAWKHSEXHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClNS/c17-15-6-5-14(19-15)9-16(10-18-13-3-4-13)8-11-1-2-12(16)7-11/h5-6,11-13,18H,1-4,7-10H2.
What are the key properties of N-[[2-[(5-chlorothiophen-2-yl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]cyclopropanamine?
N-[[2-[(5-chlorothiophen-2-yl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]cyclopropanamine has a molecular weight of 295.88 g/mol, XLogP of 4.50, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(5-chlorothiophen-2-yl)methyl]-2-bicyclo[2.2.1]heptanyl]methyl]cyclopropanamine is sourced from PubChem (CID 63522529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).