[1-[(2-amino-5-bromoanilino)methyl]cyclopentyl]methanol

C13H19BrN2O — CID 115358053

IUPAC[1-[(2-amino-5-bromoanilino)methyl]cyclopentyl]methanol
SMILESNc1ccc(Br)cc1NCC1(CO)CCCC1
InChIInChI=1S/C13H19BrN2O/c14-10-3-4-11(15)12(7-10)16-8-13(9-17)5-1-2-6-13/h3-4,7,16-17H,1-2,5-6,8-9,15H2
InChIKeyXVHDTCDNUNEVOC-UHFFFAOYSA-N
MW299.21 g/mol
LogP3.00
Rot. Bonds4

About [1-[(2-amino-5-bromoanilino)methyl]cyclopentyl]methanol

[1-[(2-amino-5-bromoanilino)methyl]cyclopentyl]methanol (PubChem CID 115358053) has the molecular formula C13H19BrN2O and a molecular weight of 299.21 g/mol. Its IUPAC name is [1-[(2-amino-5-bromoanilino)methyl]cyclopentyl]methanol.

Molecular Properties

Compound Name[1-[(2-amino-5-bromoanilino)methyl]cyclopentyl]methanol
PubChem CID115358053
Molecular FormulaC13H19BrN2O
Molecular Weight299.21 g/mol
Exact Mass298.07
IUPAC Name[1-[(2-amino-5-bromoanilino)methyl]cyclopentyl]methanol
SMILESNc1ccc(Br)cc1NCC1(CO)CCCC1
InChIInChI=1S/C13H19BrN2O/c14-10-3-4-11(15)12(7-10)16-8-13(9-17)5-1-2-6-13/h3-4,7,16-17H,1-2,5-6,8-9,15H2
InChIKeyXVHDTCDNUNEVOC-UHFFFAOYSA-N
XLogP3.00
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.21
LogP ≤ 53.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-2-[[1-(hydroxymethyl)cyclohexyl]methylamino]benzonitrile
CID 114902140
[1-[(2-amino-5-methoxyanilino)methyl]cyclohexyl]methanol
CID 103965437
[1-[(2-amino-5-bromo-4-fluoroanilino)methyl]cyclohexyl]methanol
CID 116736218
2-amino-5-bromo-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzamide
CID 103967454
4-bromo-2-N-[(1-methylsulfanylcyclopentyl)methyl]benzene-1,2-diamine
CID 114115686
4-bromo-2-[[1-(hydroxymethyl)cyclopropyl]methylamino]benzoic acid
CID 114907469
[1-[(2-amino-4-chloro-5-fluoroanilino)methyl]cyclopentyl]methanol
CID 115358093
[1-[(4-amino-2-methylanilino)methyl]cyclopentyl]methanol
CID 115358022
[1-[(4-amino-5-chloro-2-methylanilino)methyl]cyclopentyl]methanol
CID 115555162
[1-[[(8-aminoquinolin-5-yl)amino]methyl]cyclopentyl]methanol
CID 115358035
4-amino-2-[[1-(hydroxymethyl)cyclopentyl]methylamino]benzamide
CID 115358089
[1-[(4-aminoanilino)methyl]cyclohexyl]methanol
CID 103965357

Frequently Asked Questions

What is the IUPAC name of [1-[(2-amino-5-bromoanilino)methyl]cyclopentyl]methanol?
The IUPAC name of [1-[(2-amino-5-bromoanilino)methyl]cyclopentyl]methanol (CID 115358053) is [1-[(2-amino-5-bromoanilino)methyl]cyclopentyl]methanol.
What is the SMILES notation for [1-[(2-amino-5-bromoanilino)methyl]cyclopentyl]methanol?
The canonical SMILES for [1-[(2-amino-5-bromoanilino)methyl]cyclopentyl]methanol is Nc1ccc(Br)cc1NCC1(CO)CCCC1.
What is the InChIKey of [1-[(2-amino-5-bromoanilino)methyl]cyclopentyl]methanol?
The InChIKey is XVHDTCDNUNEVOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O/c14-10-3-4-11(15)12(7-10)16-8-13(9-17)5-1-2-6-13/h3-4,7,16-17H,1-2,5-6,8-9,15H2.
What are the key properties of [1-[(2-amino-5-bromoanilino)methyl]cyclopentyl]methanol?
[1-[(2-amino-5-bromoanilino)methyl]cyclopentyl]methanol has a molecular weight of 299.21 g/mol, XLogP of 3.00, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-amino-5-bromoanilino)methyl]cyclopentyl]methanol is sourced from PubChem (CID 115358053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).