5-[2,4-dichloro-6-[(cyclopropylamino)methyl]phenoxy]pentan-1-ol

C15H21Cl2NO2 — CID 62227671

IUPAC5-[2,4-dichloro-6-[(cyclopropylamino)methyl]phenoxy]pentan-1-ol
SMILESOCCCCCOc1c(Cl)cc(Cl)cc1CNC1CC1
InChIInChI=1S/C15H21Cl2NO2/c16-12-8-11(10-18-13-4-5-13)15(14(17)9-12)20-7-3-1-2-6-19/h8-9,13,18-19H,1-7,10H2
InChIKeyYTCMZLCDFPIDRP-UHFFFAOYSA-N
MW318.24 g/mol
LogP3.79
Rot. Bonds9

About 5-[2,4-dichloro-6-[(cyclopropylamino)methyl]phenoxy]pentan-1-ol

5-[2,4-dichloro-6-[(cyclopropylamino)methyl]phenoxy]pentan-1-ol (PubChem CID 62227671) has the molecular formula C15H21Cl2NO2 and a molecular weight of 318.24 g/mol. Its IUPAC name is 5-[2,4-dichloro-6-[(cyclopropylamino)methyl]phenoxy]pentan-1-ol.

Molecular Properties

Compound Name5-[2,4-dichloro-6-[(cyclopropylamino)methyl]phenoxy]pentan-1-ol
PubChem CID62227671
Molecular FormulaC15H21Cl2NO2
Molecular Weight318.24 g/mol
Exact Mass317.09
IUPAC Name5-[2,4-dichloro-6-[(cyclopropylamino)methyl]phenoxy]pentan-1-ol
SMILESOCCCCCOc1c(Cl)cc(Cl)cc1CNC1CC1
InChIInChI=1S/C15H21Cl2NO2/c16-12-8-11(10-18-13-4-5-13)15(14(17)9-12)20-7-3-1-2-6-19/h8-9,13,18-19H,1-7,10H2
InChIKeyYTCMZLCDFPIDRP-UHFFFAOYSA-N
XLogP3.79
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.24
LogP ≤ 53.79
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-[(3,5-dichloro-2-pentoxyphenyl)methyl]cyclopropanamine
CID 43515859
methyl 3-[2,4-dichloro-6-[(cyclopropylamino)methyl]phenoxy]propanoate
CID 63947658
4-[2-[(tert-butylamino)methyl]-4,6-dichlorophenoxy]butan-1-ol
CID 63057974
5-(2,4,6-trichlorophenoxy)pentan-1-ol
CID 62229545
N-[[3,5-dichloro-2-(2-chloroprop-2-enoxy)phenyl]methyl]cyclopropanamine
CID 60889636
N-[[3,5-dichloro-2-(3-methoxy-3-methylbutoxy)phenyl]methyl]cyclopropanamine
CID 103032725
N-[(3,5-dichloro-2-methoxyphenyl)methyl]cyclobutanamine
CID 82500447
1-[2,4-dichloro-6-[(cyclopropylamino)methyl]phenoxy]-3-ethoxypropan-2-ol
CID 63933960
N-[[3,5-dichloro-2-(pyridin-4-ylmethoxy)phenyl]methyl]cyclopropanamine
CID 43515875
5-[3-chloro-2-[(cyclopropylamino)methyl]phenoxy]pentan-1-ol
CID 114319269
1-(3,5-dichloro-2-heptoxyphenyl)-N-methylmethanamine
CID 43515702
4-[4-chloro-2-[(cyclopropylamino)methyl]-6-methoxyphenoxy]butan-2-ol
CID 104664940

Frequently Asked Questions

What is the IUPAC name of 5-[2,4-dichloro-6-[(cyclopropylamino)methyl]phenoxy]pentan-1-ol?
The IUPAC name of 5-[2,4-dichloro-6-[(cyclopropylamino)methyl]phenoxy]pentan-1-ol (CID 62227671) is 5-[2,4-dichloro-6-[(cyclopropylamino)methyl]phenoxy]pentan-1-ol.
What is the SMILES notation for 5-[2,4-dichloro-6-[(cyclopropylamino)methyl]phenoxy]pentan-1-ol?
The canonical SMILES for 5-[2,4-dichloro-6-[(cyclopropylamino)methyl]phenoxy]pentan-1-ol is OCCCCCOc1c(Cl)cc(Cl)cc1CNC1CC1.
What is the InChIKey of 5-[2,4-dichloro-6-[(cyclopropylamino)methyl]phenoxy]pentan-1-ol?
The InChIKey is YTCMZLCDFPIDRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Cl2NO2/c16-12-8-11(10-18-13-4-5-13)15(14(17)9-12)20-7-3-1-2-6-19/h8-9,13,18-19H,1-7,10H2.
What are the key properties of 5-[2,4-dichloro-6-[(cyclopropylamino)methyl]phenoxy]pentan-1-ol?
5-[2,4-dichloro-6-[(cyclopropylamino)methyl]phenoxy]pentan-1-ol has a molecular weight of 318.24 g/mol, XLogP of 3.79, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2,4-dichloro-6-[(cyclopropylamino)methyl]phenoxy]pentan-1-ol is sourced from PubChem (CID 62227671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).