1-[(4-chlorophenyl)methoxy]-3-(cyclopentylamino)propan-2-ol

C15H22ClNO2 — CID 60635580

IUPAC1-[(4-chlorophenyl)methoxy]-3-(cyclopentylamino)propan-2-ol
SMILESOC(CNC1CCCC1)COCc1ccc(Cl)cc1
InChIInChI=1S/C15H22ClNO2/c16-13-7-5-12(6-8-13)10-19-11-15(18)9-17-14-3-1-2-4-14/h5-8,14-15,17-18H,1-4,9-11H2
InChIKeyNOKILJXQEBIMSJ-UHFFFAOYSA-N
MW283.80 g/mol
LogP2.75
Rot. Bonds7

About 1-[(4-chlorophenyl)methoxy]-3-(cyclopentylamino)propan-2-ol

1-[(4-chlorophenyl)methoxy]-3-(cyclopentylamino)propan-2-ol (PubChem CID 60635580) has the molecular formula C15H22ClNO2 and a molecular weight of 283.80 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methoxy]-3-(cyclopentylamino)propan-2-ol.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methoxy]-3-(cyclopentylamino)propan-2-ol
PubChem CID60635580
Molecular FormulaC15H22ClNO2
Molecular Weight283.80 g/mol
Exact Mass283.13
IUPAC Name1-[(4-chlorophenyl)methoxy]-3-(cyclopentylamino)propan-2-ol
SMILESOC(CNC1CCCC1)COCc1ccc(Cl)cc1
InChIInChI=1S/C15H22ClNO2/c16-13-7-5-12(6-8-13)10-19-11-15(18)9-17-14-3-1-2-4-14/h5-8,14-15,17-18H,1-4,9-11H2
InChIKeyNOKILJXQEBIMSJ-UHFFFAOYSA-N
XLogP2.75
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-chlorophenyl)methoxy]-3-(oxan-4-ylamino)propan-2-ol
CID 60909101
1-[(4-chlorophenyl)methoxy]-3-(oxan-3-ylamino)propan-2-ol
CID 63363760
1-(4-chlorophenoxy)-3-(cyclooctylamino)propan-2-ol
CID 60635581
N-[2-[(4-chlorophenyl)methoxy]propyl]cyclopentanamine
CID 65125616
1-[(2-chlorophenyl)methoxy]-3-(cyclopentylamino)propan-2-ol;oxalic acid
CID 126456729
(2R)-1-(tert-butylamino)-3-[(4-chlorophenyl)methoxy]propan-2-ol
CID 7024938
(2R)-1-(cyclopentylamino)-3-[4-[(2R)-3-(cyclopentylamino)-2-hydroxypropoxy]phenoxy]propan-2-ol
CID 7454139
1-[(2-chlorophenyl)methoxy]-3-(cyclopropylamino)propan-2-ol
CID 43090643
N-[1-[3-[(4-chlorophenyl)methoxy]-2-hydroxypropyl]piperidin-3-yl]acetamide
CID 110898038
1-(cyclobutylamino)-3-(2,4-dichlorophenoxy)propan-2-ol
CID 62413983
1-(cyclopentyloxyamino)-3-phenylmethoxypropan-2-ol
CID 83229084
1-(cyclopentylamino)-3-(4-ethylphenoxy)propan-2-ol
CID 18838017

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methoxy]-3-(cyclopentylamino)propan-2-ol?
The IUPAC name of 1-[(4-chlorophenyl)methoxy]-3-(cyclopentylamino)propan-2-ol (CID 60635580) is 1-[(4-chlorophenyl)methoxy]-3-(cyclopentylamino)propan-2-ol.
What is the SMILES notation for 1-[(4-chlorophenyl)methoxy]-3-(cyclopentylamino)propan-2-ol?
The canonical SMILES for 1-[(4-chlorophenyl)methoxy]-3-(cyclopentylamino)propan-2-ol is OC(CNC1CCCC1)COCc1ccc(Cl)cc1.
What is the InChIKey of 1-[(4-chlorophenyl)methoxy]-3-(cyclopentylamino)propan-2-ol?
The InChIKey is NOKILJXQEBIMSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO2/c16-13-7-5-12(6-8-13)10-19-11-15(18)9-17-14-3-1-2-4-14/h5-8,14-15,17-18H,1-4,9-11H2.
What are the key properties of 1-[(4-chlorophenyl)methoxy]-3-(cyclopentylamino)propan-2-ol?
1-[(4-chlorophenyl)methoxy]-3-(cyclopentylamino)propan-2-ol has a molecular weight of 283.80 g/mol, XLogP of 2.75, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methoxy]-3-(cyclopentylamino)propan-2-ol is sourced from PubChem (CID 60635580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).