2-bromo-4-[[(2-methoxycyclopentyl)amino]methyl]phenol

C13H18BrNO2 — CID 63045556

IUPAC2-bromo-4-[[(2-methoxycyclopentyl)amino]methyl]phenol
SMILESCOC1CCCC1NCc1ccc(O)c(Br)c1
InChIInChI=1S/C13H18BrNO2/c1-17-13-4-2-3-11(13)15-8-9-5-6-12(16)10(14)7-9/h5-7,11,13,15-16H,2-4,8H2,1H3
InChIKeyDROHEIZFAXVPNB-UHFFFAOYSA-N
MW300.20 g/mol
LogP2.81
Rot. Bonds4

About 2-bromo-4-[[(2-methoxycyclopentyl)amino]methyl]phenol

2-bromo-4-[[(2-methoxycyclopentyl)amino]methyl]phenol (PubChem CID 63045556) has the molecular formula C13H18BrNO2 and a molecular weight of 300.20 g/mol. Its IUPAC name is 2-bromo-4-[[(2-methoxycyclopentyl)amino]methyl]phenol.

Molecular Properties

Compound Name2-bromo-4-[[(2-methoxycyclopentyl)amino]methyl]phenol
PubChem CID63045556
Molecular FormulaC13H18BrNO2
Molecular Weight300.20 g/mol
Exact Mass299.05
IUPAC Name2-bromo-4-[[(2-methoxycyclopentyl)amino]methyl]phenol
SMILESCOC1CCCC1NCc1ccc(O)c(Br)c1
InChIInChI=1S/C13H18BrNO2/c1-17-13-4-2-3-11(13)15-8-9-5-6-12(16)10(14)7-9/h5-7,11,13,15-16H,2-4,8H2,1H3
InChIKeyDROHEIZFAXVPNB-UHFFFAOYSA-N
XLogP2.81
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.20
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 114121370
N-[(3-bromophenyl)methyl]-2-methoxycyclohexan-1-amine
CID 61401371
N-[(3-fluoro-4-methylphenyl)methyl]-2-methoxycyclopentan-1-amine
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5-[[(2-methoxycyclopentyl)amino]methyl]-2-methylaniline
CID 62087722
2-bromo-4-[[(2,3-dimethylcyclopentyl)amino]methyl]phenol
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N-[(3-chloro-4-fluorophenyl)methyl]-2-methoxycyclopentan-1-amine
CID 81144626
2-methoxy-N-[(4-methylphenyl)methyl]cyclohexan-1-amine
CID 43765239
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-2-methoxycyclopentan-1-amine
CID 62087852
N-(furan-3-ylmethyl)-2-methoxycyclopentan-1-amine
CID 63002147
N-[(2-bromo-5-methoxyphenyl)methyl]-2-methoxycyclopentan-1-amine
CID 65324218
3-[[(2-methoxycyclopentyl)amino]methyl]benzoic acid
CID 103248532
2-methoxy-N-[(3-methoxyphenyl)methyl]cyclohexan-1-amine
CID 60874496

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-[[(2-methoxycyclopentyl)amino]methyl]phenol?
The IUPAC name of 2-bromo-4-[[(2-methoxycyclopentyl)amino]methyl]phenol (CID 63045556) is 2-bromo-4-[[(2-methoxycyclopentyl)amino]methyl]phenol.
What is the SMILES notation for 2-bromo-4-[[(2-methoxycyclopentyl)amino]methyl]phenol?
The canonical SMILES for 2-bromo-4-[[(2-methoxycyclopentyl)amino]methyl]phenol is COC1CCCC1NCc1ccc(O)c(Br)c1.
What is the InChIKey of 2-bromo-4-[[(2-methoxycyclopentyl)amino]methyl]phenol?
The InChIKey is DROHEIZFAXVPNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO2/c1-17-13-4-2-3-11(13)15-8-9-5-6-12(16)10(14)7-9/h5-7,11,13,15-16H,2-4,8H2,1H3.
What are the key properties of 2-bromo-4-[[(2-methoxycyclopentyl)amino]methyl]phenol?
2-bromo-4-[[(2-methoxycyclopentyl)amino]methyl]phenol has a molecular weight of 300.20 g/mol, XLogP of 2.81, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-[[(2-methoxycyclopentyl)amino]methyl]phenol is sourced from PubChem (CID 63045556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).