3-[[(2-amino-3,5-dibromophenyl)methylamino]methyl]cyclopentan-1-ol

C13H18Br2N2O — CID 166221083

IUPAC3-[[(2-amino-3,5-dibromophenyl)methylamino]methyl]cyclopentan-1-ol
SMILESNc1c(Br)cc(Br)cc1CNCC1CCC(O)C1
InChIInChI=1S/C13H18Br2N2O/c14-10-4-9(13(16)12(15)5-10)7-17-6-8-1-2-11(18)3-8/h4-5,8,11,17-18H,1-3,6-7,16H2
InChIKeyUNSJIUUKDNZIPN-UHFFFAOYSA-N
MW378.11 g/mol
LogP3.04
Rot. Bonds4

About 3-[[(2-amino-3,5-dibromophenyl)methylamino]methyl]cyclopentan-1-ol

3-[[(2-amino-3,5-dibromophenyl)methylamino]methyl]cyclopentan-1-ol (PubChem CID 166221083) has the molecular formula C13H18Br2N2O and a molecular weight of 378.11 g/mol. Its IUPAC name is 3-[[(2-amino-3,5-dibromophenyl)methylamino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name3-[[(2-amino-3,5-dibromophenyl)methylamino]methyl]cyclopentan-1-ol
PubChem CID166221083
Molecular FormulaC13H18Br2N2O
Molecular Weight378.11 g/mol
Exact Mass375.98
IUPAC Name3-[[(2-amino-3,5-dibromophenyl)methylamino]methyl]cyclopentan-1-ol
SMILESNc1c(Br)cc(Br)cc1CNCC1CCC(O)C1
InChIInChI=1S/C13H18Br2N2O/c14-10-4-9(13(16)12(15)5-10)7-17-6-8-1-2-11(18)3-8/h4-5,8,11,17-18H,1-3,6-7,16H2
InChIKeyUNSJIUUKDNZIPN-UHFFFAOYSA-N
XLogP3.04
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.11
LogP ≤ 53.04
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-[(2-amino-3,5-dibromophenyl)(113C)methylamino]cyclohexan-1-ol
CID 153427955
4-[[(3,5-dibromo-2-ethoxyphenyl)methylamino]methyl]cyclohexan-1-ol
CID 106127186
3-[[(4-bromothiophen-2-yl)methylamino]methyl]cyclopentan-1-ol
CID 103270680
4-[(2-amino-3,5-dibromophenyl)methylamino]cyclohexan-1-ol nitrate
CID 11690726
2-amino-4,6-dibromo-N-[(3-hydroxycyclopentyl)methyl]benzenesulfonamide
CID 106119165
3-[[(5-bromo-2-prop-2-ynoxyphenyl)methylamino]methyl]cyclopentan-1-ol
CID 103270843
3-[[(2-fluorophenyl)methylamino]methyl]cyclopentan-1-ol
CID 103270976
4-chloro-2-[[(3-hydroxycyclopentyl)methylamino]methyl]phenol
CID 103270835
3-[(2-amino-5-bromoanilino)methyl]cyclopentan-1-ol
CID 106119622
3-[[(3,5-dimethylphenyl)methylamino]methyl]cyclopentan-1-ol
CID 103270774
4-[[(5-bromo-2-methoxyphenyl)methylamino]methyl]cyclohexan-1-ol
CID 106126796
3-[(4-amino-2-bromo-5-methylanilino)methyl]cyclopentan-1-ol
CID 114146031

Frequently Asked Questions

What is the IUPAC name of 3-[[(2-amino-3,5-dibromophenyl)methylamino]methyl]cyclopentan-1-ol?
The IUPAC name of 3-[[(2-amino-3,5-dibromophenyl)methylamino]methyl]cyclopentan-1-ol (CID 166221083) is 3-[[(2-amino-3,5-dibromophenyl)methylamino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 3-[[(2-amino-3,5-dibromophenyl)methylamino]methyl]cyclopentan-1-ol?
The canonical SMILES for 3-[[(2-amino-3,5-dibromophenyl)methylamino]methyl]cyclopentan-1-ol is Nc1c(Br)cc(Br)cc1CNCC1CCC(O)C1.
What is the InChIKey of 3-[[(2-amino-3,5-dibromophenyl)methylamino]methyl]cyclopentan-1-ol?
The InChIKey is UNSJIUUKDNZIPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Br2N2O/c14-10-4-9(13(16)12(15)5-10)7-17-6-8-1-2-11(18)3-8/h4-5,8,11,17-18H,1-3,6-7,16H2.
What are the key properties of 3-[[(2-amino-3,5-dibromophenyl)methylamino]methyl]cyclopentan-1-ol?
3-[[(2-amino-3,5-dibromophenyl)methylamino]methyl]cyclopentan-1-ol has a molecular weight of 378.11 g/mol, XLogP of 3.04, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2-amino-3,5-dibromophenyl)methylamino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 166221083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).