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

C16H26ClNO3 — CID 82942338

IUPAC1-[(4-chlorophenyl)methoxy]-3-(3-propoxypropylamino)propan-2-ol
SMILESCCCOCCCNCC(O)COCc1ccc(Cl)cc1
InChIInChI=1S/C16H26ClNO3/c1-2-9-20-10-3-8-18-11-16(19)13-21-12-14-4-6-15(17)7-5-14/h4-7,16,18-19H,2-3,8-13H2,1H3
InChIKeyCQBURGRFZHOYQX-UHFFFAOYSA-N
MW315.84 g/mol
LogP2.62
Rot. Bonds12

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

1-[(4-chlorophenyl)methoxy]-3-(3-propoxypropylamino)propan-2-ol (PubChem CID 82942338) has the molecular formula C16H26ClNO3 and a molecular weight of 315.84 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methoxy]-3-(3-propoxypropylamino)propan-2-ol.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methoxy]-3-(3-propoxypropylamino)propan-2-ol
PubChem CID82942338
Molecular FormulaC16H26ClNO3
Molecular Weight315.84 g/mol
Exact Mass315.16
IUPAC Name1-[(4-chlorophenyl)methoxy]-3-(3-propoxypropylamino)propan-2-ol
SMILESCCCOCCCNCC(O)COCc1ccc(Cl)cc1
InChIInChI=1S/C16H26ClNO3/c1-2-9-20-10-3-8-18-11-16(19)13-21-12-14-4-6-15(17)7-5-14/h4-7,16,18-19H,2-3,8-13H2,1H3
InChIKeyCQBURGRFZHOYQX-UHFFFAOYSA-N
XLogP2.62
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.84
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[[3-[(4-chlorophenyl)methoxy]-2-hydroxypropyl]amino]ethyl]methanesulfonamide
CID 60909199
1-[(4-bromophenyl)methoxy]-3-(propylamino)propan-2-ol
CID 82828085
1-(2-methylpropoxy)-3-(3-propoxypropylamino)propan-2-ol
CID 82943587
(2R)-1-(tert-butylamino)-3-[(4-chlorophenyl)methoxy]propan-2-ol
CID 7024938
1-(butan-2-ylamino)-3-[(4-chlorophenyl)methoxy]propan-2-ol chloride
CID 53313843
3-[[3-[(4-chlorophenyl)methoxy]-2-hydroxypropyl]amino]-2-hydroxypropanamide
CID 106174960
4-[2-[[(2S)-3-[(4-chlorophenyl)methoxy]-2-hydroxypropyl]amino]ethyl]benzenesulfonamide
CID 39915403
1-[(4-chlorophenyl)methylamino]-3-(4-methylpentoxy)propan-2-ol
CID 60632996
1-[(4-chlorophenyl)methoxy]-3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]propan-2-ol
CID 106400203
1-[(4-chlorophenyl)methoxy]-3-(cyclopentylamino)propan-2-ol
CID 60635580
1-[[3-[(4-chlorophenyl)methoxy]-2-hydroxypropyl]amino]-2-methyl-3-methylsulfanylpropan-2-ol
CID 106247300
3-[(4-chlorophenyl)methoxy]-N-(2-methoxyethyl)propan-1-amine
CID 65130444

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methoxy]-3-(3-propoxypropylamino)propan-2-ol?
The IUPAC name of 1-[(4-chlorophenyl)methoxy]-3-(3-propoxypropylamino)propan-2-ol (CID 82942338) is 1-[(4-chlorophenyl)methoxy]-3-(3-propoxypropylamino)propan-2-ol.
What is the SMILES notation for 1-[(4-chlorophenyl)methoxy]-3-(3-propoxypropylamino)propan-2-ol?
The canonical SMILES for 1-[(4-chlorophenyl)methoxy]-3-(3-propoxypropylamino)propan-2-ol is CCCOCCCNCC(O)COCc1ccc(Cl)cc1.
What is the InChIKey of 1-[(4-chlorophenyl)methoxy]-3-(3-propoxypropylamino)propan-2-ol?
The InChIKey is CQBURGRFZHOYQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26ClNO3/c1-2-9-20-10-3-8-18-11-16(19)13-21-12-14-4-6-15(17)7-5-14/h4-7,16,18-19H,2-3,8-13H2,1H3.
What are the key properties of 1-[(4-chlorophenyl)methoxy]-3-(3-propoxypropylamino)propan-2-ol?
1-[(4-chlorophenyl)methoxy]-3-(3-propoxypropylamino)propan-2-ol has a molecular weight of 315.84 g/mol, XLogP of 2.62, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methoxy]-3-(3-propoxypropylamino)propan-2-ol is sourced from PubChem (CID 82942338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).