2-[(3-chloro-4-methoxyphenyl)methylamino]-1-cyclopropylethanol

C13H18ClNO2 — CID 65021909

IUPAC2-[(3-chloro-4-methoxyphenyl)methylamino]-1-cyclopropylethanol
SMILESCOc1ccc(CNCC(O)C2CC2)cc1Cl
InChIInChI=1S/C13H18ClNO2/c1-17-13-5-2-9(6-11(13)14)7-15-8-12(16)10-3-4-10/h2,5-6,10,12,15-16H,3-4,7-8H2,1H3
InChIKeyQJQMSZONGFWSSL-UHFFFAOYSA-N
MW255.74 g/mol
LogP2.21
Rot. Bonds6

About 2-[(3-chloro-4-methoxyphenyl)methylamino]-1-cyclopropylethanol

2-[(3-chloro-4-methoxyphenyl)methylamino]-1-cyclopropylethanol (PubChem CID 65021909) has the molecular formula C13H18ClNO2 and a molecular weight of 255.74 g/mol. Its IUPAC name is 2-[(3-chloro-4-methoxyphenyl)methylamino]-1-cyclopropylethanol.

Molecular Properties

Compound Name2-[(3-chloro-4-methoxyphenyl)methylamino]-1-cyclopropylethanol
PubChem CID65021909
Molecular FormulaC13H18ClNO2
Molecular Weight255.74 g/mol
Exact Mass255.10
IUPAC Name2-[(3-chloro-4-methoxyphenyl)methylamino]-1-cyclopropylethanol
SMILESCOc1ccc(CNCC(O)C2CC2)cc1Cl
InChIInChI=1S/C13H18ClNO2/c1-17-13-5-2-9(6-11(13)14)7-15-8-12(16)10-3-4-10/h2,5-6,10,12,15-16H,3-4,7-8H2,1H3
InChIKeyQJQMSZONGFWSSL-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

4-[[(2-cyclopropyl-2-hydroxyethyl)amino]methyl]-2-methoxybenzonitrile
CID 106787482
N-[(3-chloro-4-methoxyphenyl)methyl]-2-methylpropan-1-amine;hydrochloride
CID 132843627
(1S)-2-[(3-chloro-4-methoxyphenyl)methylamino]-1-phenylethanol
CID 29223950
2-[(2-chloro-6-methoxyphenyl)methylamino]-1-cyclopropylethanol
CID 113238189
4-[[(2-cyclopropyl-2-hydroxyethyl)amino]methyl]-N'-hydroxy-2-methoxybenzenecarboximidamide
CID 106789636
1-cyclopropyl-2-[(3-methoxyphenyl)methylamino]ethanol
CID 63294606
[(3-chloro-4-methoxyphenyl)methylamino]methanol
CID 115228943
2-[(3-chloro-4-methoxyphenyl)methylamino]-1-phenylethanol;hydrochloride
CID 132847052
1-cyclopentyl-2-[(4-methoxy-3-nitrophenyl)methylamino]ethanol
CID 111425458
4-[(3-chloro-4-methoxyphenyl)methylamino]butan-2-ol
CID 65021347
N-[(3-chloro-4-methoxyphenyl)methyl]-3-methoxy-2-methylpropan-1-amine
CID 65021527
2-cyclopropyl-N-[(3,4-dimethoxyphenyl)methyl]propan-1-amine
CID 115592709

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-4-methoxyphenyl)methylamino]-1-cyclopropylethanol?
The IUPAC name of 2-[(3-chloro-4-methoxyphenyl)methylamino]-1-cyclopropylethanol (CID 65021909) is 2-[(3-chloro-4-methoxyphenyl)methylamino]-1-cyclopropylethanol.
What is the SMILES notation for 2-[(3-chloro-4-methoxyphenyl)methylamino]-1-cyclopropylethanol?
The canonical SMILES for 2-[(3-chloro-4-methoxyphenyl)methylamino]-1-cyclopropylethanol is COc1ccc(CNCC(O)C2CC2)cc1Cl.
What is the InChIKey of 2-[(3-chloro-4-methoxyphenyl)methylamino]-1-cyclopropylethanol?
The InChIKey is QJQMSZONGFWSSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO2/c1-17-13-5-2-9(6-11(13)14)7-15-8-12(16)10-3-4-10/h2,5-6,10,12,15-16H,3-4,7-8H2,1H3.
What are the key properties of 2-[(3-chloro-4-methoxyphenyl)methylamino]-1-cyclopropylethanol?
2-[(3-chloro-4-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-[(3-chloro-4-methoxyphenyl)methylamino]-1-cyclopropylethanol is sourced from PubChem (CID 65021909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).