1-[3-chloro-2-[(cyclopropylamino)methyl]phenoxy]propan-2-ol

C13H18ClNO2 — CID 114319207

IUPAC1-[3-chloro-2-[(cyclopropylamino)methyl]phenoxy]propan-2-ol
SMILESCC(O)COc1cccc(Cl)c1CNC1CC1
InChIInChI=1S/C13H18ClNO2/c1-9(16)8-17-13-4-2-3-12(14)11(13)7-15-10-5-6-10/h2-4,9-10,15-16H,5-8H2,1H3
InChIKeyXRVQZIGHKSWQST-UHFFFAOYSA-N
MW255.74 g/mol
LogP2.35
Rot. Bonds6

About 1-[3-chloro-2-[(cyclopropylamino)methyl]phenoxy]propan-2-ol

1-[3-chloro-2-[(cyclopropylamino)methyl]phenoxy]propan-2-ol (PubChem CID 114319207) has the molecular formula C13H18ClNO2 and a molecular weight of 255.74 g/mol. Its IUPAC name is 1-[3-chloro-2-[(cyclopropylamino)methyl]phenoxy]propan-2-ol.

Molecular Properties

Compound Name1-[3-chloro-2-[(cyclopropylamino)methyl]phenoxy]propan-2-ol
PubChem CID114319207
Molecular FormulaC13H18ClNO2
Molecular Weight255.74 g/mol
Exact Mass255.10
IUPAC Name1-[3-chloro-2-[(cyclopropylamino)methyl]phenoxy]propan-2-ol
SMILESCC(O)COc1cccc(Cl)c1CNC1CC1
InChIInChI=1S/C13H18ClNO2/c1-9(16)8-17-13-4-2-3-12(14)11(13)7-15-10-5-6-10/h2-4,9-10,15-16H,5-8H2,1H3
InChIKeyXRVQZIGHKSWQST-UHFFFAOYSA-N
XLogP2.35
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 ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-chloro-6-(4-methylpentoxy)phenyl]methyl]cyclopropanamine
CID 115280986
N-[[2-chloro-6-[(Z)-3-chloro-2-methylprop-2-enoxy]phenyl]methyl]cyclopropanamine
CID 114188741
5-[3-chloro-2-[(cyclopropylamino)methyl]phenoxy]pentan-1-ol
CID 114319269
1-[1-[(cyclopropylamino)methyl]naphthalen-2-yl]oxypropan-2-ol
CID 60888672
N-[[2-chloro-6-[2-(dimethylamino)ethoxy]phenyl]methyl]cyclopropanamine
CID 113276682
N-[[2-chloro-6-(cyclopentylmethoxy)phenyl]methyl]cyclopropanamine
CID 114319363
N-[[2-chloro-6-(3-fluoropropoxy)phenyl]methyl]cyclopropanamine
CID 114319278
2-[3-chloro-2-[(cyclopropylamino)methyl]phenoxy]-N,N-diethylacetamide
CID 114319211
N-[[2-chloro-6-(cyclopropylmethoxymethoxy)phenyl]methyl]cyclopropanamine
CID 106929381
3-[3-chloro-2-[(cyclopropylamino)methyl]phenoxy]-N-ethylpropanamide
CID 114319182
N-[[2-chloro-6-(2,3-dimethylphenoxy)phenyl]methyl]cyclopropanamine
CID 43282801
N-[[2-chloro-6-[(3-chlorophenyl)methoxy]phenyl]methyl]cyclopropanamine
CID 114319312

Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-2-[(cyclopropylamino)methyl]phenoxy]propan-2-ol?
The IUPAC name of 1-[3-chloro-2-[(cyclopropylamino)methyl]phenoxy]propan-2-ol (CID 114319207) is 1-[3-chloro-2-[(cyclopropylamino)methyl]phenoxy]propan-2-ol.
What is the SMILES notation for 1-[3-chloro-2-[(cyclopropylamino)methyl]phenoxy]propan-2-ol?
The canonical SMILES for 1-[3-chloro-2-[(cyclopropylamino)methyl]phenoxy]propan-2-ol is CC(O)COc1cccc(Cl)c1CNC1CC1.
What is the InChIKey of 1-[3-chloro-2-[(cyclopropylamino)methyl]phenoxy]propan-2-ol?
The InChIKey is XRVQZIGHKSWQST-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO2/c1-9(16)8-17-13-4-2-3-12(14)11(13)7-15-10-5-6-10/h2-4,9-10,15-16H,5-8H2,1H3.
What are the key properties of 1-[3-chloro-2-[(cyclopropylamino)methyl]phenoxy]propan-2-ol?
1-[3-chloro-2-[(cyclopropylamino)methyl]phenoxy]propan-2-ol has a molecular weight of 255.74 g/mol, XLogP of 2.35, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-2-[(cyclopropylamino)methyl]phenoxy]propan-2-ol is sourced from PubChem (CID 114319207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).