N-[2-(3-bromophenyl)-2-methylpropyl]-2-morpholin-3-ylcyclopentan-1-amine

C19H29BrN2O — CID 120915631

IUPACN-[2-(3-bromophenyl)-2-methylpropyl]-2-morpholin-3-ylcyclopentan-1-amine
SMILESCC(C)(CNC1CCCC1C1COCCN1)c1cccc(Br)c1
InChIInChI=1S/C19H29BrN2O/c1-19(2,14-5-3-6-15(20)11-14)13-22-17-8-4-7-16(17)18-12-23-10-9-21-18/h3,5-6,11,16-18,21-22H,4,7-10,12-13H2,1-2H3
InChIKeyDSKFZPCEJGDRFK-UHFFFAOYSA-N
MW381.36 g/mol
LogP3.47
Rot. Bonds5

About N-[2-(3-bromophenyl)-2-methylpropyl]-2-morpholin-3-ylcyclopentan-1-amine

N-[2-(3-bromophenyl)-2-methylpropyl]-2-morpholin-3-ylcyclopentan-1-amine (PubChem CID 120915631) has the molecular formula C19H29BrN2O and a molecular weight of 381.36 g/mol. Its IUPAC name is N-[2-(3-bromophenyl)-2-methylpropyl]-2-morpholin-3-ylcyclopentan-1-amine.

Molecular Properties

Compound NameN-[2-(3-bromophenyl)-2-methylpropyl]-2-morpholin-3-ylcyclopentan-1-amine
PubChem CID120915631
Molecular FormulaC19H29BrN2O
Molecular Weight381.36 g/mol
Exact Mass380.15
IUPAC NameN-[2-(3-bromophenyl)-2-methylpropyl]-2-morpholin-3-ylcyclopentan-1-amine
SMILESCC(C)(CNC1CCCC1C1COCCN1)c1cccc(Br)c1
InChIInChI=1S/C19H29BrN2O/c1-19(2,14-5-3-6-15(20)11-14)13-22-17-8-4-7-16(17)18-12-23-10-9-21-18/h3,5-6,11,16-18,21-22H,4,7-10,12-13H2,1-2H3
InChIKeyDSKFZPCEJGDRFK-UHFFFAOYSA-N
XLogP3.47
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.36
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-methyl-2-[3-(trifluoromethyl)phenyl]propyl]-2-morpholin-3-ylcyclopentan-1-amine
CID 120915869
N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride
CID 120915500
N-[2-(3-tert-butylphenoxy)ethyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride
CID 120916338
2-methyl-1-N-(2-morpholin-3-ylcyclopentyl)-2-N-(1-phenylethyl)propane-1,2-diamine
CID 120914113
N-[(5-bromo-2-methoxyphenyl)methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride
CID 120916214
2-morpholin-3-yl-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]cyclopentan-1-amine
CID 120914273
N-(3,3-dimethylbutyl)-2-morpholin-3-ylcyclopentan-1-amine
CID 120913877
[3-[[(2-morpholin-3-ylcyclopentyl)amino]methyl]phenyl]methanol
CID 120914335
N-[[3-(methoxymethyl)phenyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine
CID 120915585
N-[(5-bromothiophen-2-yl)methyl]-2-morpholin-3-ylcyclopentan-1-amine
CID 120913901
3-methyl-N-(2-morpholin-3-ylcyclopentyl)aniline;hydrochloride
CID 120916354
N-[2-(4-bromophenoxy)propyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride
CID 120914924

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-bromophenyl)-2-methylpropyl]-2-morpholin-3-ylcyclopentan-1-amine?
The IUPAC name of N-[2-(3-bromophenyl)-2-methylpropyl]-2-morpholin-3-ylcyclopentan-1-amine (CID 120915631) is N-[2-(3-bromophenyl)-2-methylpropyl]-2-morpholin-3-ylcyclopentan-1-amine.
What is the SMILES notation for N-[2-(3-bromophenyl)-2-methylpropyl]-2-morpholin-3-ylcyclopentan-1-amine?
The canonical SMILES for N-[2-(3-bromophenyl)-2-methylpropyl]-2-morpholin-3-ylcyclopentan-1-amine is CC(C)(CNC1CCCC1C1COCCN1)c1cccc(Br)c1.
What is the InChIKey of N-[2-(3-bromophenyl)-2-methylpropyl]-2-morpholin-3-ylcyclopentan-1-amine?
The InChIKey is DSKFZPCEJGDRFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29BrN2O/c1-19(2,14-5-3-6-15(20)11-14)13-22-17-8-4-7-16(17)18-12-23-10-9-21-18/h3,5-6,11,16-18,21-22H,4,7-10,12-13H2,1-2H3.
What are the key properties of N-[2-(3-bromophenyl)-2-methylpropyl]-2-morpholin-3-ylcyclopentan-1-amine?
N-[2-(3-bromophenyl)-2-methylpropyl]-2-morpholin-3-ylcyclopentan-1-amine has a molecular weight of 381.36 g/mol, XLogP of 3.47, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-bromophenyl)-2-methylpropyl]-2-morpholin-3-ylcyclopentan-1-amine is sourced from PubChem (CID 120915631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).