2-[(2-chloro-6-methoxyphenyl)methylamino]-1-cyclopropylethanol

C13H18ClNO2 — CID 113238189

IUPAC2-[(2-chloro-6-methoxyphenyl)methylamino]-1-cyclopropylethanol
SMILESCOc1cccc(Cl)c1CNCC(O)C1CC1
InChIInChI=1S/C13H18ClNO2/c1-17-13-4-2-3-11(14)10(13)7-15-8-12(16)9-5-6-9/h2-4,9,12,15-16H,5-8H2,1H3
InChIKeyVMKWQNQAWPSQSE-UHFFFAOYSA-N
MW255.74 g/mol
LogP2.21
Rot. Bonds6

About 2-[(2-chloro-6-methoxyphenyl)methylamino]-1-cyclopropylethanol

2-[(2-chloro-6-methoxyphenyl)methylamino]-1-cyclopropylethanol (PubChem CID 113238189) has the molecular formula C13H18ClNO2 and a molecular weight of 255.74 g/mol. Its IUPAC name is 2-[(2-chloro-6-methoxyphenyl)methylamino]-1-cyclopropylethanol.

Molecular Properties

Compound Name2-[(2-chloro-6-methoxyphenyl)methylamino]-1-cyclopropylethanol
PubChem CID113238189
Molecular FormulaC13H18ClNO2
Molecular Weight255.74 g/mol
Exact Mass255.10
IUPAC Name2-[(2-chloro-6-methoxyphenyl)methylamino]-1-cyclopropylethanol
SMILESCOc1cccc(Cl)c1CNCC(O)C1CC1
InChIInChI=1S/C13H18ClNO2/c1-17-13-4-2-3-11(14)10(13)7-15-8-12(16)9-5-6-9/h2-4,9,12,15-16H,5-8H2,1H3
InChIKeyVMKWQNQAWPSQSE-UHFFFAOYSA-N
XLogP2.21
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.74
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-chloro-6-methoxyphenyl)methylamino]propan-2-ol
CID 115634692
2-[(2-chloro-6-methoxyphenyl)methylamino]-1-phenylethanol
CID 115634728
2-[(3-chloro-4-methoxyphenyl)methylamino]-1-cyclopropylethanol
CID 65021909
N-[(2-chloro-6-methoxyphenyl)methyl]-1-(1-methylpiperidin-4-yl)methanamine
CID 115634960
2-amino-3-[(2-chloro-6-methoxyphenyl)methylamino]propanamide
CID 103292977
N-[(2-chloro-6-methoxyphenyl)methyl]-1-cyclopropyl-1-phenylmethanamine
CID 104815845
N-[2-[(2-chloro-6-methoxyphenyl)methylamino]ethyl]cyclopropanecarboxamide
CID 115634738
N-[(2-chloro-6-methoxyphenyl)methyl]-3-propan-2-ylcyclobutan-1-amine
CID 103562453
1-cyclopropyl-2-[(3-methoxyphenyl)methylamino]ethanol
CID 63294606
N-[(2-chloro-6-methoxyphenyl)methyl]-2-methylcyclopentan-1-amine
CID 104815987
N-[(2-chloro-6-methoxyphenyl)methyl]-3-propan-2-yloxypropan-1-amine
CID 115634734
2-[(2-chloro-6-methoxyphenyl)methylamino]-N'-hydroxyethanimidamide
CID 103292703

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-6-methoxyphenyl)methylamino]-1-cyclopropylethanol?
The IUPAC name of 2-[(2-chloro-6-methoxyphenyl)methylamino]-1-cyclopropylethanol (CID 113238189) is 2-[(2-chloro-6-methoxyphenyl)methylamino]-1-cyclopropylethanol.
What is the SMILES notation for 2-[(2-chloro-6-methoxyphenyl)methylamino]-1-cyclopropylethanol?
The canonical SMILES for 2-[(2-chloro-6-methoxyphenyl)methylamino]-1-cyclopropylethanol is COc1cccc(Cl)c1CNCC(O)C1CC1.
What is the InChIKey of 2-[(2-chloro-6-methoxyphenyl)methylamino]-1-cyclopropylethanol?
The InChIKey is VMKWQNQAWPSQSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO2/c1-17-13-4-2-3-11(14)10(13)7-15-8-12(16)9-5-6-9/h2-4,9,12,15-16H,5-8H2,1H3.
What are the key properties of 2-[(2-chloro-6-methoxyphenyl)methylamino]-1-cyclopropylethanol?
2-[(2-chloro-6-methoxyphenyl)methylamino]-1-cyclopropylethanol has a molecular weight of 255.74 g/mol, XLogP of 2.21, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-6-methoxyphenyl)methylamino]-1-cyclopropylethanol is sourced from PubChem (CID 113238189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).