N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]cycloheptanamine;hydrochloride

C19H26ClNOS — CID 17331804

IUPACN-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]cycloheptanamine;hydrochloride
SMILESCl.c1csc(COc2ccc(CNC3CCCCCC3)cc2)c1
InChIInChI=1S/C19H25NOS.ClH/c1-2-4-7-17(6-3-1)20-14-16-9-11-18(12-10-16)21-15-19-8-5-13-22-19;/h5,8-13,17,20H,1-4,6-7,14-15H2;1H
InChIKeySALLPZOPNXZENL-UHFFFAOYSA-N
MW351.94 g/mol
LogP5.56
Rot. Bonds6

About N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]cycloheptanamine;hydrochloride

N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]cycloheptanamine;hydrochloride (PubChem CID 17331804) has the molecular formula C19H26ClNOS and a molecular weight of 351.94 g/mol. Its IUPAC name is N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]cycloheptanamine;hydrochloride.

Molecular Properties

Compound NameN-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]cycloheptanamine;hydrochloride
PubChem CID17331804
Molecular FormulaC19H26ClNOS
Molecular Weight351.94 g/mol
Exact Mass351.14
IUPAC NameN-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]cycloheptanamine;hydrochloride
SMILESCl.c1csc(COc2ccc(CNC3CCCCCC3)cc2)c1
InChIInChI=1S/C19H25NOS.ClH/c1-2-4-7-17(6-3-1)20-14-16-9-11-18(12-10-16)21-15-19-8-5-13-22-19;/h5,8-13,17,20H,1-4,6-7,14-15H2;1H
InChIKeySALLPZOPNXZENL-UHFFFAOYSA-N
XLogP5.56
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.94
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]cycloheptanamine;hydrochloride 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-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]cyclooctanamine;hydrochloride
CID 17331809
N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]cyclopentanamine
CID 961311
N-(thiophen-2-ylmethyl)cycloheptanamine
CID 4719997
N-[(4-phenylmethoxyphenyl)methyl]cyclooctanamine
CID 4723001
N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]propan-2-amine
CID 60880650
N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]ethanamine;hydrochloride
CID 17290088
N-[(4-ethoxyphenyl)methyl]cyclooctanamine;hydrochloride
CID 17331532
N-[[4-(2-phenoxyethoxy)phenyl]methyl]cyclohexanamine
CID 54797686
N-[[3,5-dimethyl-4-(thiophen-2-ylmethoxy)phenyl]methyl]cyclopropanamine
CID 60879896
N-[(4-cyclopentyloxyphenyl)methyl]cyclohexanamine
CID 39372881
N-[(4-methoxyphenyl)methyl]cycloheptanamine
CID 784052
2-[[4-(bromomethyl)phenoxy]methyl]thiophene
CID 43141545

Frequently Asked Questions

What is the IUPAC name of N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]cycloheptanamine;hydrochloride?
The IUPAC name of N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]cycloheptanamine;hydrochloride (CID 17331804) is N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]cycloheptanamine;hydrochloride.
What is the SMILES notation for N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]cycloheptanamine;hydrochloride?
The canonical SMILES for N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]cycloheptanamine;hydrochloride is Cl.c1csc(COc2ccc(CNC3CCCCCC3)cc2)c1.
What is the InChIKey of N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]cycloheptanamine;hydrochloride?
The InChIKey is SALLPZOPNXZENL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NOS.ClH/c1-2-4-7-17(6-3-1)20-14-16-9-11-18(12-10-16)21-15-19-8-5-13-22-19;/h5,8-13,17,20H,1-4,6-7,14-15H2;1H.
What are the key properties of N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]cycloheptanamine;hydrochloride?
N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]cycloheptanamine;hydrochloride has a molecular weight of 351.94 g/mol, XLogP of 5.56, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]cycloheptanamine;hydrochloride is sourced from PubChem (CID 17331804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).