5-[3-chloro-2-[(cyclopropylamino)methyl]phenoxy]pentan-1-ol

C15H22ClNO2 — CID 114319269

IUPAC5-[3-chloro-2-[(cyclopropylamino)methyl]phenoxy]pentan-1-ol
SMILESOCCCCCOc1cccc(Cl)c1CNC1CC1
InChIInChI=1S/C15H22ClNO2/c16-14-5-4-6-15(19-10-3-1-2-9-18)13(14)11-17-12-7-8-12/h4-6,12,17-18H,1-3,7-11H2
InChIKeyLNMPARLBZBZKDB-UHFFFAOYSA-N
MW283.80 g/mol
LogP3.13
Rot. Bonds9

About 5-[3-chloro-2-[(cyclopropylamino)methyl]phenoxy]pentan-1-ol

5-[3-chloro-2-[(cyclopropylamino)methyl]phenoxy]pentan-1-ol (PubChem CID 114319269) has the molecular formula C15H22ClNO2 and a molecular weight of 283.80 g/mol. Its IUPAC name is 5-[3-chloro-2-[(cyclopropylamino)methyl]phenoxy]pentan-1-ol.

Molecular Properties

Compound Name5-[3-chloro-2-[(cyclopropylamino)methyl]phenoxy]pentan-1-ol
PubChem CID114319269
Molecular FormulaC15H22ClNO2
Molecular Weight283.80 g/mol
Exact Mass283.13
IUPAC Name5-[3-chloro-2-[(cyclopropylamino)methyl]phenoxy]pentan-1-ol
SMILESOCCCCCOc1cccc(Cl)c1CNC1CC1
InChIInChI=1S/C15H22ClNO2/c16-14-5-4-6-15(19-10-3-1-2-9-18)13(14)11-17-12-7-8-12/h4-6,12,17-18H,1-3,7-11H2
InChIKeyLNMPARLBZBZKDB-UHFFFAOYSA-N
XLogP3.13
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[2-chloro-6-(3-fluoropropoxy)phenyl]methyl]cyclopropanamine
CID 114319278
N-[[2-chloro-6-(4-methylpentoxy)phenyl]methyl]cyclopropanamine
CID 115280986
N-[[2-chloro-6-[2-(dimethylamino)ethoxy]phenyl]methyl]cyclopropanamine
CID 113276682
1-[3-chloro-2-[(cyclopropylamino)methyl]phenoxy]propan-2-ol
CID 114319207
N-[[2-chloro-6-(2-pyridin-4-ylethoxy)phenyl]methyl]cyclopropanamine
CID 114319356
3-[3-chloro-2-[(cyclopropylamino)methyl]phenoxy]-N-ethylpropanamide
CID 114319182
N-[[2-chloro-6-(cyclopentylmethoxy)phenyl]methyl]cyclopropanamine
CID 114319363
N-[[2-chloro-6-[(Z)-3-chloro-2-methylprop-2-enoxy]phenyl]methyl]cyclopropanamine
CID 114188741
N-[[2-chloro-6-(cyclopropylmethoxymethoxy)phenyl]methyl]cyclopropanamine
CID 106929381
N-[[2-chloro-6-(2-imidazol-1-ylethoxy)phenyl]methyl]cyclopropanamine
CID 114319341
N-[[2-chloro-6-[(3-chlorophenyl)methoxy]phenyl]methyl]cyclopropanamine
CID 114319312
N-[[2-chloro-6-(thiophen-2-ylmethoxy)phenyl]methyl]cyclopropanamine
CID 114319226

Frequently Asked Questions

What is the IUPAC name of 5-[3-chloro-2-[(cyclopropylamino)methyl]phenoxy]pentan-1-ol?
The IUPAC name of 5-[3-chloro-2-[(cyclopropylamino)methyl]phenoxy]pentan-1-ol (CID 114319269) is 5-[3-chloro-2-[(cyclopropylamino)methyl]phenoxy]pentan-1-ol.
What is the SMILES notation for 5-[3-chloro-2-[(cyclopropylamino)methyl]phenoxy]pentan-1-ol?
The canonical SMILES for 5-[3-chloro-2-[(cyclopropylamino)methyl]phenoxy]pentan-1-ol is OCCCCCOc1cccc(Cl)c1CNC1CC1.
What is the InChIKey of 5-[3-chloro-2-[(cyclopropylamino)methyl]phenoxy]pentan-1-ol?
The InChIKey is LNMPARLBZBZKDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO2/c16-14-5-4-6-15(19-10-3-1-2-9-18)13(14)11-17-12-7-8-12/h4-6,12,17-18H,1-3,7-11H2.
What are the key properties of 5-[3-chloro-2-[(cyclopropylamino)methyl]phenoxy]pentan-1-ol?
5-[3-chloro-2-[(cyclopropylamino)methyl]phenoxy]pentan-1-ol has a molecular weight of 283.80 g/mol, XLogP of 3.13, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-chloro-2-[(cyclopropylamino)methyl]phenoxy]pentan-1-ol is sourced from PubChem (CID 114319269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).