1-[(2-amino-5-bromo-N-methylanilino)methyl]cyclopentan-1-ol

C13H19BrN2O — CID 114947477

IUPAC1-[(2-amino-5-bromo-N-methylanilino)methyl]cyclopentan-1-ol
SMILESCN(CC1(O)CCCC1)c1cc(Br)ccc1N
InChIInChI=1S/C13H19BrN2O/c1-16(9-13(17)6-2-3-7-13)12-8-10(14)4-5-11(12)15/h4-5,8,17H,2-3,6-7,9,15H2,1H3
InChIKeyBWCBATKWQLLKRK-UHFFFAOYSA-N
MW299.21 g/mol
LogP2.77
Rot. Bonds3

About 1-[(2-amino-5-bromo-N-methylanilino)methyl]cyclopentan-1-ol

1-[(2-amino-5-bromo-N-methylanilino)methyl]cyclopentan-1-ol (PubChem CID 114947477) has the molecular formula C13H19BrN2O and a molecular weight of 299.21 g/mol. Its IUPAC name is 1-[(2-amino-5-bromo-N-methylanilino)methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[(2-amino-5-bromo-N-methylanilino)methyl]cyclopentan-1-ol
PubChem CID114947477
Molecular FormulaC13H19BrN2O
Molecular Weight299.21 g/mol
Exact Mass298.07
IUPAC Name1-[(2-amino-5-bromo-N-methylanilino)methyl]cyclopentan-1-ol
SMILESCN(CC1(O)CCCC1)c1cc(Br)ccc1N
InChIInChI=1S/C13H19BrN2O/c1-16(9-13(17)6-2-3-7-13)12-8-10(14)4-5-11(12)15/h4-5,8,17H,2-3,6-7,9,15H2,1H3
InChIKeyBWCBATKWQLLKRK-UHFFFAOYSA-N
XLogP2.77
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.21
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-N'-hydroxy-2-[(1-hydroxycyclopentyl)methyl-methylamino]benzenecarboximidamide
CID 114949643
3-bromo-4-[(1-hydroxycyclopentyl)methyl-methylamino]benzenecarbothioamide
CID 114949454
4-bromo-2-N-methyl-2-N-(2-methylpropyl)benzene-1,2-diamine
CID 65343114
1-[[4-amino-2-(difluoromethyl)-N-methylanilino]methyl]cyclopentan-1-ol
CID 114947310
4-bromo-2-N-butyl-2-N-methylbenzene-1,2-diamine
CID 65341463
4-bromo-2-N-cyclopropyl-2-N-methylbenzene-1,2-diamine
CID 65343671
1-[[2-(aminomethyl)-4-chloro-N-methylanilino]methyl]cyclopentan-1-ol
CID 114947842
5-bromo-2-[(4-hydroxyoxan-4-yl)methyl-methylamino]benzenecarboximidamide
CID 114949754
4-bromo-2-N-methyl-2-N-(2-methylsulfonylethyl)benzene-1,2-diamine
CID 79849633
1-[[(4-amino-2-pyridinyl)-methylamino]methyl]cyclopentan-1-ol
CID 114947474
5-amino-2-[(1-hydroxycyclopentyl)methyl-methylamino]-N-methylbenzenesulfonamide
CID 103287528
1-[[4-[(1R)-1-aminoethyl]-2-chloro-N-methylanilino]methyl]cyclopentan-1-ol
CID 104985405

Frequently Asked Questions

What is the IUPAC name of 1-[(2-amino-5-bromo-N-methylanilino)methyl]cyclopentan-1-ol?
The IUPAC name of 1-[(2-amino-5-bromo-N-methylanilino)methyl]cyclopentan-1-ol (CID 114947477) is 1-[(2-amino-5-bromo-N-methylanilino)methyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[(2-amino-5-bromo-N-methylanilino)methyl]cyclopentan-1-ol?
The canonical SMILES for 1-[(2-amino-5-bromo-N-methylanilino)methyl]cyclopentan-1-ol is CN(CC1(O)CCCC1)c1cc(Br)ccc1N.
What is the InChIKey of 1-[(2-amino-5-bromo-N-methylanilino)methyl]cyclopentan-1-ol?
The InChIKey is BWCBATKWQLLKRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O/c1-16(9-13(17)6-2-3-7-13)12-8-10(14)4-5-11(12)15/h4-5,8,17H,2-3,6-7,9,15H2,1H3.
What are the key properties of 1-[(2-amino-5-bromo-N-methylanilino)methyl]cyclopentan-1-ol?
1-[(2-amino-5-bromo-N-methylanilino)methyl]cyclopentan-1-ol has a molecular weight of 299.21 g/mol, XLogP of 2.77, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-amino-5-bromo-N-methylanilino)methyl]cyclopentan-1-ol is sourced from PubChem (CID 114947477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).