3-iodo-N-(2-morpholin-3-ylcyclopentyl)aniline;hydrochloride

C15H22ClIN2O — CID 120916330

IUPAC3-iodo-N-(2-morpholin-3-ylcyclopentyl)aniline;hydrochloride
SMILESCl.Ic1cccc(NC2CCCC2C2COCCN2)c1
InChIInChI=1S/C15H21IN2O.ClH/c16-11-3-1-4-12(9-11)18-14-6-2-5-13(14)15-10-19-8-7-17-15;/h1,3-4,9,13-15,17-18H,2,5-8,10H2;1H
InChIKeyHJGOSELZBMWZSX-UHFFFAOYSA-N
MW408.71 g/mol
LogP3.28
Rot. Bonds3

About 3-iodo-N-(2-morpholin-3-ylcyclopentyl)aniline;hydrochloride

3-iodo-N-(2-morpholin-3-ylcyclopentyl)aniline;hydrochloride (PubChem CID 120916330) has the molecular formula C15H22ClIN2O and a molecular weight of 408.71 g/mol. Its IUPAC name is 3-iodo-N-(2-morpholin-3-ylcyclopentyl)aniline;hydrochloride.

Molecular Properties

Compound Name3-iodo-N-(2-morpholin-3-ylcyclopentyl)aniline;hydrochloride
PubChem CID120916330
Molecular FormulaC15H22ClIN2O
Molecular Weight408.71 g/mol
Exact Mass408.05
IUPAC Name3-iodo-N-(2-morpholin-3-ylcyclopentyl)aniline;hydrochloride
SMILESCl.Ic1cccc(NC2CCCC2C2COCCN2)c1
InChIInChI=1S/C15H21IN2O.ClH/c16-11-3-1-4-12(9-11)18-14-6-2-5-13(14)15-10-19-8-7-17-15;/h1,3-4,9,13-15,17-18H,2,5-8,10H2;1H
InChIKeyHJGOSELZBMWZSX-UHFFFAOYSA-N
XLogP3.28
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.71
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-N-(2-morpholin-3-ylcyclopentyl)aniline;hydrochloride
CID 120916354
4-methylsulfanyl-N-(2-morpholin-3-ylcyclopentyl)aniline;hydrochloride
CID 120915956
2-cyclopropyl-N-(2-morpholin-3-ylcyclopentyl)-1,3-benzoxazol-5-amine;hydrochloride
CID 120916052
4-(ethoxymethyl)-N-(2-morpholin-3-ylcyclopentyl)aniline;hydrochloride
CID 120916262
N-[3-[[(2-morpholin-3-ylcyclopentyl)amino]methyl]phenyl]acetamide;hydrochloride
CID 120915446
[3-[[(2-morpholin-3-ylcyclopentyl)amino]methyl]phenyl]methanol
CID 120914335
trans-(1R,2R)-2-(3-iodoanilino)cyclopentan-1-ol
CID 102733058
N-[3-[[(2-morpholin-3-ylcyclopentyl)amino]methyl]phenyl]cyclobutanecarboxamide
CID 120914967
N-[2-(3-bromophenyl)-2-methylpropyl]-2-morpholin-3-ylcyclopentan-1-amine
CID 120915631
N-[2-(3-chlorophenoxy)ethyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride
CID 120914256
N-[2-methyl-2-[3-(trifluoromethyl)phenyl]propyl]-2-morpholin-3-ylcyclopentan-1-amine
CID 120915869
N-[[3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride
CID 120914320

Frequently Asked Questions

What is the IUPAC name of 3-iodo-N-(2-morpholin-3-ylcyclopentyl)aniline;hydrochloride?
The IUPAC name of 3-iodo-N-(2-morpholin-3-ylcyclopentyl)aniline;hydrochloride (CID 120916330) is 3-iodo-N-(2-morpholin-3-ylcyclopentyl)aniline;hydrochloride.
What is the SMILES notation for 3-iodo-N-(2-morpholin-3-ylcyclopentyl)aniline;hydrochloride?
The canonical SMILES for 3-iodo-N-(2-morpholin-3-ylcyclopentyl)aniline;hydrochloride is Cl.Ic1cccc(NC2CCCC2C2COCCN2)c1.
What is the InChIKey of 3-iodo-N-(2-morpholin-3-ylcyclopentyl)aniline;hydrochloride?
The InChIKey is HJGOSELZBMWZSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21IN2O.ClH/c16-11-3-1-4-12(9-11)18-14-6-2-5-13(14)15-10-19-8-7-17-15;/h1,3-4,9,13-15,17-18H,2,5-8,10H2;1H.
What are the key properties of 3-iodo-N-(2-morpholin-3-ylcyclopentyl)aniline;hydrochloride?
3-iodo-N-(2-morpholin-3-ylcyclopentyl)aniline;hydrochloride has a molecular weight of 408.71 g/mol, XLogP of 3.28, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-N-(2-morpholin-3-ylcyclopentyl)aniline;hydrochloride is sourced from PubChem (CID 120916330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).