3-chloro-2-[[(1-methylcyclopropyl)methylamino]methyl]phenol

C12H16ClNO — CID 103724323

IUPAC3-chloro-2-[[(1-methylcyclopropyl)methylamino]methyl]phenol
SMILESCC1(CNCc2c(O)cccc2Cl)CC1
InChIInChI=1S/C12H16ClNO/c1-12(5-6-12)8-14-7-9-10(13)3-2-4-11(9)15/h2-4,14-15H,5-8H2,1H3
InChIKeyHHZVAEKEZRVFOH-UHFFFAOYSA-N
MW225.72 g/mol
LogP2.94
Rot. Bonds4

About 3-chloro-2-[[(1-methylcyclopropyl)methylamino]methyl]phenol

3-chloro-2-[[(1-methylcyclopropyl)methylamino]methyl]phenol (PubChem CID 103724323) has the molecular formula C12H16ClNO and a molecular weight of 225.72 g/mol. Its IUPAC name is 3-chloro-2-[[(1-methylcyclopropyl)methylamino]methyl]phenol.

Molecular Properties

Compound Name3-chloro-2-[[(1-methylcyclopropyl)methylamino]methyl]phenol
PubChem CID103724323
Molecular FormulaC12H16ClNO
Molecular Weight225.72 g/mol
Exact Mass225.09
IUPAC Name3-chloro-2-[[(1-methylcyclopropyl)methylamino]methyl]phenol
SMILESCC1(CNCc2c(O)cccc2Cl)CC1
InChIInChI=1S/C12H16ClNO/c1-12(5-6-12)8-14-7-9-10(13)3-2-4-11(9)15/h2-4,14-15H,5-8H2,1H3
InChIKeyHHZVAEKEZRVFOH-UHFFFAOYSA-N
XLogP2.94
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.72
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

3-chloro-2-[[(1-methylcyclobutyl)methylamino]methyl]phenol
CID 103735921
3-chloro-2-[[(1-methylsulfanylcyclopropyl)methylamino]methyl]phenol
CID 107267317
3-chloro-2-[[(1-hydroxycyclopentyl)methylamino]methyl]phenol
CID 78960288
3-chloro-2-[[(1-hydroxycyclohexyl)methylamino]methyl]phenol
CID 78960594
3-chloro-2-[[[1-(2-methoxyethyl)cyclopropyl]methylamino]methyl]phenol
CID 103802319
1-(2-chloro-6-methoxyphenyl)-N-[(1-methylcyclobutyl)methyl]methanamine
CID 103735799
3-chloro-2-[[(2,2-dimethylcyclopentyl)amino]methyl]phenol
CID 79831452
N-[3-[(2-chloro-6-hydroxyphenyl)methylamino]propyl]methanesulfonamide
CID 113235534
3-chloro-2-[(3,3-dimethylbutylamino)methyl]phenol
CID 115625573
1-(2-chlorophenyl)-N-[(1-methylcyclobutyl)methyl]methanamine;hydrochloride
CID 115680463
[1-[[(2,6-dichlorophenyl)methylamino]methyl]cyclopentyl]methanol
CID 113293557
3-chloro-2-[(2-ethylbutylamino)methyl]phenol
CID 115625696

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-[[(1-methylcyclopropyl)methylamino]methyl]phenol?
The IUPAC name of 3-chloro-2-[[(1-methylcyclopropyl)methylamino]methyl]phenol (CID 103724323) is 3-chloro-2-[[(1-methylcyclopropyl)methylamino]methyl]phenol.
What is the SMILES notation for 3-chloro-2-[[(1-methylcyclopropyl)methylamino]methyl]phenol?
The canonical SMILES for 3-chloro-2-[[(1-methylcyclopropyl)methylamino]methyl]phenol is CC1(CNCc2c(O)cccc2Cl)CC1.
What is the InChIKey of 3-chloro-2-[[(1-methylcyclopropyl)methylamino]methyl]phenol?
The InChIKey is HHZVAEKEZRVFOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO/c1-12(5-6-12)8-14-7-9-10(13)3-2-4-11(9)15/h2-4,14-15H,5-8H2,1H3.
What are the key properties of 3-chloro-2-[[(1-methylcyclopropyl)methylamino]methyl]phenol?
3-chloro-2-[[(1-methylcyclopropyl)methylamino]methyl]phenol has a molecular weight of 225.72 g/mol, XLogP of 2.94, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-[[(1-methylcyclopropyl)methylamino]methyl]phenol is sourced from PubChem (CID 103724323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).