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

C16H25ClN2O — CID 120916354

IUPAC3-methyl-N-(2-morpholin-3-ylcyclopentyl)aniline;hydrochloride
SMILESCc1cccc(NC2CCCC2C2COCCN2)c1.Cl
InChIInChI=1S/C16H24N2O.ClH/c1-12-4-2-5-13(10-12)18-15-7-3-6-14(15)16-11-19-9-8-17-16;/h2,4-5,10,14-18H,3,6-9,11H2,1H3;1H
InChIKeyIOVBOUHHKKJBNM-UHFFFAOYSA-N
MW296.84 g/mol
LogP2.99
Rot. Bonds3

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

3-methyl-N-(2-morpholin-3-ylcyclopentyl)aniline;hydrochloride (PubChem CID 120916354) has the molecular formula C16H25ClN2O and a molecular weight of 296.84 g/mol. Its IUPAC name is 3-methyl-N-(2-morpholin-3-ylcyclopentyl)aniline;hydrochloride.

Molecular Properties

Compound Name3-methyl-N-(2-morpholin-3-ylcyclopentyl)aniline;hydrochloride
PubChem CID120916354
Molecular FormulaC16H25ClN2O
Molecular Weight296.84 g/mol
Exact Mass296.17
IUPAC Name3-methyl-N-(2-morpholin-3-ylcyclopentyl)aniline;hydrochloride
SMILESCc1cccc(NC2CCCC2C2COCCN2)c1.Cl
InChIInChI=1S/C16H24N2O.ClH/c1-12-4-2-5-13(10-12)18-15-7-3-6-14(15)16-11-19-9-8-17-16;/h2,4-5,10,14-18H,3,6-9,11H2,1H3;1H
InChIKeyIOVBOUHHKKJBNM-UHFFFAOYSA-N
XLogP2.99
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.84
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-iodo-N-(2-morpholin-3-ylcyclopentyl)aniline;hydrochloride
CID 120916330
4-methylsulfanyl-N-(2-morpholin-3-ylcyclopentyl)aniline;hydrochloride
CID 120915956
N'-ethyl-N'-(3-methylphenyl)-N-(2-morpholin-3-ylcyclopentyl)ethane-1,2-diamine;hydrochloride
CID 120914670
4-(ethoxymethyl)-N-(2-morpholin-3-ylcyclopentyl)aniline;hydrochloride
CID 120916262
2-cyclopropyl-N-(2-morpholin-3-ylcyclopentyl)-1,3-benzoxazol-5-amine;hydrochloride
CID 120916052
N-[3-[[(2-morpholin-3-ylcyclopentyl)amino]methyl]phenyl]acetamide;hydrochloride
CID 120915446
N-[2-(2-methoxy-5-methylphenyl)ethyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride
CID 120914820
N-[(5-methylthiophen-2-yl)methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride
CID 120915744
N-[2-(3-bromophenyl)-2-methylpropyl]-2-morpholin-3-ylcyclopentan-1-amine
CID 120915631
N-[[3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride
CID 120914320
N-[[3-(methoxymethyl)phenyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine
CID 120915585
[3-[[(2-morpholin-3-ylcyclopentyl)amino]methyl]phenyl]methanol
CID 120914335

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(2-morpholin-3-ylcyclopentyl)aniline;hydrochloride?
The IUPAC name of 3-methyl-N-(2-morpholin-3-ylcyclopentyl)aniline;hydrochloride (CID 120916354) is 3-methyl-N-(2-morpholin-3-ylcyclopentyl)aniline;hydrochloride.
What is the SMILES notation for 3-methyl-N-(2-morpholin-3-ylcyclopentyl)aniline;hydrochloride?
The canonical SMILES for 3-methyl-N-(2-morpholin-3-ylcyclopentyl)aniline;hydrochloride is Cc1cccc(NC2CCCC2C2COCCN2)c1.Cl.
What is the InChIKey of 3-methyl-N-(2-morpholin-3-ylcyclopentyl)aniline;hydrochloride?
The InChIKey is IOVBOUHHKKJBNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O.ClH/c1-12-4-2-5-13(10-12)18-15-7-3-6-14(15)16-11-19-9-8-17-16;/h2,4-5,10,14-18H,3,6-9,11H2,1H3;1H.
What are the key properties of 3-methyl-N-(2-morpholin-3-ylcyclopentyl)aniline;hydrochloride?
3-methyl-N-(2-morpholin-3-ylcyclopentyl)aniline;hydrochloride has a molecular weight of 296.84 g/mol, XLogP of 2.99, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(2-morpholin-3-ylcyclopentyl)aniline;hydrochloride is sourced from PubChem (CID 120916354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).