2-bromo-4-[[(2,3-dimethylcyclopentyl)amino]methyl]phenol

C14H20BrNO — CID 64909509

IUPAC2-bromo-4-[[(2,3-dimethylcyclopentyl)amino]methyl]phenol
SMILESCC1CCC(NCc2ccc(O)c(Br)c2)C1C
InChIInChI=1S/C14H20BrNO/c1-9-3-5-13(10(9)2)16-8-11-4-6-14(17)12(15)7-11/h4,6-7,9-10,13,16-17H,3,5,8H2,1-2H3
InChIKeyVQQCXWPKMKFLGQ-UHFFFAOYSA-N
MW298.22 g/mol
LogP3.68
Rot. Bonds3

About 2-bromo-4-[[(2,3-dimethylcyclopentyl)amino]methyl]phenol

2-bromo-4-[[(2,3-dimethylcyclopentyl)amino]methyl]phenol (PubChem CID 64909509) has the molecular formula C14H20BrNO and a molecular weight of 298.22 g/mol. Its IUPAC name is 2-bromo-4-[[(2,3-dimethylcyclopentyl)amino]methyl]phenol.

Molecular Properties

Compound Name2-bromo-4-[[(2,3-dimethylcyclopentyl)amino]methyl]phenol
PubChem CID64909509
Molecular FormulaC14H20BrNO
Molecular Weight298.22 g/mol
Exact Mass297.07
IUPAC Name2-bromo-4-[[(2,3-dimethylcyclopentyl)amino]methyl]phenol
SMILESCC1CCC(NCc2ccc(O)c(Br)c2)C1C
InChIInChI=1S/C14H20BrNO/c1-9-3-5-13(10(9)2)16-8-11-4-6-14(17)12(15)7-11/h4,6-7,9-10,13,16-17H,3,5,8H2,1-2H3
InChIKeyVQQCXWPKMKFLGQ-UHFFFAOYSA-N
XLogP3.68
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.22
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[(2,3-dimethylcyclohexyl)amino]methyl]benzene-1,2-diol
CID 43179140
N-[(3,4-dimethylphenyl)methyl]-2,3-dimethylcyclopentan-1-amine
CID 64908240
2-bromo-4-[[(2-methoxycyclopentyl)amino]methyl]phenol
CID 63045556
N-[(4-ethylphenyl)methyl]-2,3-dimethylcyclopentan-1-amine
CID 64907324
N-[(4-cyclopropylphenyl)methyl]-2,3-dimethylcyclopentan-1-amine
CID 79984316
2-bromo-4-[[(2-ethylsulfanylcyclopentyl)amino]methyl]phenol
CID 114121370
2-bromo-4-[[(2-methylcyclopentyl)methylamino]methyl]phenol
CID 107416951
N-[(2-bromophenyl)methyl]-2,3-dimethylcyclopentan-1-amine
CID 64909294
N-[(4-bromo-3-fluorophenyl)methyl]-3-ethyl-2-methylcyclopentan-1-amine
CID 81437054
2,3-dimethyl-N-[(3,4,5-trifluorophenyl)methyl]cyclopentan-1-amine
CID 64907785
1-[[(2,3-dimethylcyclopentyl)amino]methyl]naphthalen-2-ol
CID 64910405
3-[[(2,3-dimethylcyclopentyl)amino]methyl]benzonitrile
CID 64908206

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-[[(2,3-dimethylcyclopentyl)amino]methyl]phenol?
The IUPAC name of 2-bromo-4-[[(2,3-dimethylcyclopentyl)amino]methyl]phenol (CID 64909509) is 2-bromo-4-[[(2,3-dimethylcyclopentyl)amino]methyl]phenol.
What is the SMILES notation for 2-bromo-4-[[(2,3-dimethylcyclopentyl)amino]methyl]phenol?
The canonical SMILES for 2-bromo-4-[[(2,3-dimethylcyclopentyl)amino]methyl]phenol is CC1CCC(NCc2ccc(O)c(Br)c2)C1C.
What is the InChIKey of 2-bromo-4-[[(2,3-dimethylcyclopentyl)amino]methyl]phenol?
The InChIKey is VQQCXWPKMKFLGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO/c1-9-3-5-13(10(9)2)16-8-11-4-6-14(17)12(15)7-11/h4,6-7,9-10,13,16-17H,3,5,8H2,1-2H3.
What are the key properties of 2-bromo-4-[[(2,3-dimethylcyclopentyl)amino]methyl]phenol?
2-bromo-4-[[(2,3-dimethylcyclopentyl)amino]methyl]phenol has a molecular weight of 298.22 g/mol, XLogP of 3.68, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-[[(2,3-dimethylcyclopentyl)amino]methyl]phenol is sourced from PubChem (CID 64909509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).