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

C14H20ClNO2 — CID 103802319

IUPAC3-chloro-2-[[[1-(2-methoxyethyl)cyclopropyl]methylamino]methyl]phenol
SMILESCOCCC1(CNCc2c(O)cccc2Cl)CC1
InChIInChI=1S/C14H20ClNO2/c1-18-8-7-14(5-6-14)10-16-9-11-12(15)3-2-4-13(11)17/h2-4,16-17H,5-10H2,1H3
InChIKeyPCFGOSYAKHAWQN-UHFFFAOYSA-N
MW269.77 g/mol
LogP2.95
Rot. Bonds7

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

3-chloro-2-[[[1-(2-methoxyethyl)cyclopropyl]methylamino]methyl]phenol (PubChem CID 103802319) has the molecular formula C14H20ClNO2 and a molecular weight of 269.77 g/mol. Its IUPAC name is 3-chloro-2-[[[1-(2-methoxyethyl)cyclopropyl]methylamino]methyl]phenol.

Molecular Properties

Compound Name3-chloro-2-[[[1-(2-methoxyethyl)cyclopropyl]methylamino]methyl]phenol
PubChem CID103802319
Molecular FormulaC14H20ClNO2
Molecular Weight269.77 g/mol
Exact Mass269.12
IUPAC Name3-chloro-2-[[[1-(2-methoxyethyl)cyclopropyl]methylamino]methyl]phenol
SMILESCOCCC1(CNCc2c(O)cccc2Cl)CC1
InChIInChI=1S/C14H20ClNO2/c1-18-8-7-14(5-6-14)10-16-9-11-12(15)3-2-4-13(11)17/h2-4,16-17H,5-10H2,1H3
InChIKeyPCFGOSYAKHAWQN-UHFFFAOYSA-N
XLogP2.95
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.77
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-2-[[(1-methylcyclopropyl)methylamino]methyl]phenol
CID 103724323
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
N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-1-(2,4,6-trimethylphenyl)methanamine
CID 103802368
3-chloro-2-[[(1-hydroxycyclohexyl)methylamino]methyl]phenol
CID 78960594
3-chloro-2-[[3-(2-methoxyethoxy)propylamino]methyl]phenol
CID 78959669
1-(3-bromophenyl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]methanamine
CID 103802419
3-[[[1-(2-methoxyethyl)cyclopropyl]methylamino]methyl]-2-methylaniline
CID 114112981
1-(1H-indol-4-yl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]methanamine
CID 103802406
[1-[[(2,6-dichlorophenyl)methylamino]methyl]cyclopentyl]methanol
CID 113293557
[1-[[(2,6-dichlorophenyl)methylamino]methyl]cyclohexyl]methanol
CID 103965941

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-[[[1-(2-methoxyethyl)cyclopropyl]methylamino]methyl]phenol?
The IUPAC name of 3-chloro-2-[[[1-(2-methoxyethyl)cyclopropyl]methylamino]methyl]phenol (CID 103802319) is 3-chloro-2-[[[1-(2-methoxyethyl)cyclopropyl]methylamino]methyl]phenol.
What is the SMILES notation for 3-chloro-2-[[[1-(2-methoxyethyl)cyclopropyl]methylamino]methyl]phenol?
The canonical SMILES for 3-chloro-2-[[[1-(2-methoxyethyl)cyclopropyl]methylamino]methyl]phenol is COCCC1(CNCc2c(O)cccc2Cl)CC1.
What is the InChIKey of 3-chloro-2-[[[1-(2-methoxyethyl)cyclopropyl]methylamino]methyl]phenol?
The InChIKey is PCFGOSYAKHAWQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO2/c1-18-8-7-14(5-6-14)10-16-9-11-12(15)3-2-4-13(11)17/h2-4,16-17H,5-10H2,1H3.
What are the key properties of 3-chloro-2-[[[1-(2-methoxyethyl)cyclopropyl]methylamino]methyl]phenol?
3-chloro-2-[[[1-(2-methoxyethyl)cyclopropyl]methylamino]methyl]phenol has a molecular weight of 269.77 g/mol, XLogP of 2.95, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-[[[1-(2-methoxyethyl)cyclopropyl]methylamino]methyl]phenol is sourced from PubChem (CID 103802319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).