2-[(1-aminocyclopropyl)methyl]-4-chloro-3-methylphenol

C11H14ClNO — CID 117302400

IUPAC2-[(1-aminocyclopropyl)methyl]-4-chloro-3-methylphenol
SMILESCc1c(Cl)ccc(O)c1CC1(N)CC1
InChIInChI=1S/C11H14ClNO/c1-7-8(6-11(13)4-5-11)10(14)3-2-9(7)12/h2-3,14H,4-6,13H2,1H3
InChIKeyOABYJHQUJOWEAT-UHFFFAOYSA-N
MW211.69 g/mol
LogP2.39
Rot. Bonds2

About 2-[(1-aminocyclopropyl)methyl]-4-chloro-3-methylphenol

2-[(1-aminocyclopropyl)methyl]-4-chloro-3-methylphenol (PubChem CID 117302400) has the molecular formula C11H14ClNO and a molecular weight of 211.69 g/mol. Its IUPAC name is 2-[(1-aminocyclopropyl)methyl]-4-chloro-3-methylphenol.

Molecular Properties

Compound Name2-[(1-aminocyclopropyl)methyl]-4-chloro-3-methylphenol
PubChem CID117302400
Molecular FormulaC11H14ClNO
Molecular Weight211.69 g/mol
Exact Mass211.08
IUPAC Name2-[(1-aminocyclopropyl)methyl]-4-chloro-3-methylphenol
SMILESCc1c(Cl)ccc(O)c1CC1(N)CC1
InChIInChI=1S/C11H14ClNO/c1-7-8(6-11(13)4-5-11)10(14)3-2-9(7)12/h2-3,14H,4-6,13H2,1H3
InChIKeyOABYJHQUJOWEAT-UHFFFAOYSA-N
XLogP2.39
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.69
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-aminopropyl)-4-chloro-3-methylphenol
CID 117288922
2-[(1-aminocyclopropyl)methyl]-4-chloro-5-methylphenol
CID 117302399
4-[(1-aminocyclopropyl)methyl]-2-bromo-3,5-dimethylphenol
CID 117428354
2-(3-chloro-6-hydroxy-2-methylphenyl)ethanesulfonyl chloride
CID 84808556
1-[(2-chloro-3-methylphenyl)methyl]cyclopropan-1-amine
CID 117285887
2-[(1-aminocyclopropyl)methyl]-3-bromo-6-methylphenol
CID 117393343
2-[(1-aminocyclopropyl)methyl]-6-chloro-3,4-difluorophenol
CID 117339512
1-[(3-chloro-2,6-difluoro-5-methylphenyl)methyl]cyclopropan-1-amine
CID 117335411
1-[(2-chlorophenyl)methyl]cyclopropan-1-amine
CID 23106132
1-[(2,6-dichlorophenyl)methyl]-4-propylcyclohexan-1-amine
CID 63407468
3-[(1-aminocyclopropyl)methyl]-2-chloro-4,5-dimethoxyphenol
CID 117397604
3-amino-4-chloro-2-methylphenol
CID 22708831

Frequently Asked Questions

What is the IUPAC name of 2-[(1-aminocyclopropyl)methyl]-4-chloro-3-methylphenol?
The IUPAC name of 2-[(1-aminocyclopropyl)methyl]-4-chloro-3-methylphenol (CID 117302400) is 2-[(1-aminocyclopropyl)methyl]-4-chloro-3-methylphenol.
What is the SMILES notation for 2-[(1-aminocyclopropyl)methyl]-4-chloro-3-methylphenol?
The canonical SMILES for 2-[(1-aminocyclopropyl)methyl]-4-chloro-3-methylphenol is Cc1c(Cl)ccc(O)c1CC1(N)CC1.
What is the InChIKey of 2-[(1-aminocyclopropyl)methyl]-4-chloro-3-methylphenol?
The InChIKey is OABYJHQUJOWEAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO/c1-7-8(6-11(13)4-5-11)10(14)3-2-9(7)12/h2-3,14H,4-6,13H2,1H3.
What are the key properties of 2-[(1-aminocyclopropyl)methyl]-4-chloro-3-methylphenol?
2-[(1-aminocyclopropyl)methyl]-4-chloro-3-methylphenol has a molecular weight of 211.69 g/mol, XLogP of 2.39, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-aminocyclopropyl)methyl]-4-chloro-3-methylphenol is sourced from PubChem (CID 117302400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).