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

C16H26ClNO3 — CID 4852520

IUPAC1-[(2-chlorophenyl)methoxy]-3-(3-propan-2-yloxypropylamino)propan-2-ol
SMILESCC(C)OCCCNCC(O)COCc1ccccc1Cl
InChIInChI=1S/C16H26ClNO3/c1-13(2)21-9-5-8-18-10-15(19)12-20-11-14-6-3-4-7-16(14)17/h3-4,6-7,13,15,18-19H,5,8-12H2,1-2H3
InChIKeyKBIAMUKBWRYMIO-UHFFFAOYSA-N
MW315.84 g/mol
LogP2.62
Rot. Bonds11

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

1-[(2-chlorophenyl)methoxy]-3-(3-propan-2-yloxypropylamino)propan-2-ol (PubChem CID 4852520) has the molecular formula C16H26ClNO3 and a molecular weight of 315.84 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methoxy]-3-(3-propan-2-yloxypropylamino)propan-2-ol.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methoxy]-3-(3-propan-2-yloxypropylamino)propan-2-ol
PubChem CID4852520
Molecular FormulaC16H26ClNO3
Molecular Weight315.84 g/mol
Exact Mass315.16
IUPAC Name1-[(2-chlorophenyl)methoxy]-3-(3-propan-2-yloxypropylamino)propan-2-ol
SMILESCC(C)OCCCNCC(O)COCc1ccccc1Cl
InChIInChI=1S/C16H26ClNO3/c1-13(2)21-9-5-8-18-10-15(19)12-20-11-14-6-3-4-7-16(14)17/h3-4,6-7,13,15,18-19H,5,8-12H2,1-2H3
InChIKeyKBIAMUKBWRYMIO-UHFFFAOYSA-N
XLogP2.62
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
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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Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methoxy]-3-(3-propan-2-yloxypropylamino)propan-2-ol?
The IUPAC name of 1-[(2-chlorophenyl)methoxy]-3-(3-propan-2-yloxypropylamino)propan-2-ol (CID 4852520) is 1-[(2-chlorophenyl)methoxy]-3-(3-propan-2-yloxypropylamino)propan-2-ol.
What is the SMILES notation for 1-[(2-chlorophenyl)methoxy]-3-(3-propan-2-yloxypropylamino)propan-2-ol?
The canonical SMILES for 1-[(2-chlorophenyl)methoxy]-3-(3-propan-2-yloxypropylamino)propan-2-ol is CC(C)OCCCNCC(O)COCc1ccccc1Cl.
What is the InChIKey of 1-[(2-chlorophenyl)methoxy]-3-(3-propan-2-yloxypropylamino)propan-2-ol?
The InChIKey is KBIAMUKBWRYMIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26ClNO3/c1-13(2)21-9-5-8-18-10-15(19)12-20-11-14-6-3-4-7-16(14)17/h3-4,6-7,13,15,18-19H,5,8-12H2,1-2H3.
What are the key properties of 1-[(2-chlorophenyl)methoxy]-3-(3-propan-2-yloxypropylamino)propan-2-ol?
1-[(2-chlorophenyl)methoxy]-3-(3-propan-2-yloxypropylamino)propan-2-ol has a molecular weight of 315.84 g/mol, XLogP of 2.62, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methoxy]-3-(3-propan-2-yloxypropylamino)propan-2-ol is sourced from PubChem (CID 4852520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).