1-chloro-3-(6,7,8,9-tetrahydrodibenzofuran-4-ylamino)propan-2-ol

C15H18ClNO2 — CID 168637521

IUPAC1-chloro-3-(6,7,8,9-tetrahydrodibenzofuran-4-ylamino)propan-2-ol
SMILESOC(CCl)CNc1cccc2c3c(oc12)CCCC3
InChIInChI=1S/C15H18ClNO2/c16-8-10(18)9-17-13-6-3-5-12-11-4-1-2-7-14(11)19-15(12)13/h3,5-6,10,17-18H,1-2,4,7-9H2
InChIKeyFPHVALGKLNOPKH-UHFFFAOYSA-N
MW279.77 g/mol
LogP3.32
Rot. Bonds4

About 1-chloro-3-(6,7,8,9-tetrahydrodibenzofuran-4-ylamino)propan-2-ol

1-chloro-3-(6,7,8,9-tetrahydrodibenzofuran-4-ylamino)propan-2-ol (PubChem CID 168637521) has the molecular formula C15H18ClNO2 and a molecular weight of 279.77 g/mol. Its IUPAC name is 1-chloro-3-(6,7,8,9-tetrahydrodibenzofuran-4-ylamino)propan-2-ol.

Molecular Properties

Compound Name1-chloro-3-(6,7,8,9-tetrahydrodibenzofuran-4-ylamino)propan-2-ol
PubChem CID168637521
Molecular FormulaC15H18ClNO2
Molecular Weight279.77 g/mol
Exact Mass279.10
IUPAC Name1-chloro-3-(6,7,8,9-tetrahydrodibenzofuran-4-ylamino)propan-2-ol
SMILESOC(CCl)CNc1cccc2c3c(oc12)CCCC3
InChIInChI=1S/C15H18ClNO2/c16-8-10(18)9-17-13-6-3-5-12-11-4-1-2-7-14(11)19-15(12)13/h3,5-6,10,17-18H,1-2,4,7-9H2
InChIKeyFPHVALGKLNOPKH-UHFFFAOYSA-N
XLogP3.32
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.77
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(tert-butylamino)-3-(6,7,8,9-tetrahydrodibenzofuran-4-yloxy)propan-2-ol;hydrochloride
CID 13332767
1-chloro-3-[(3-methyl-1H-indol-7-yl)amino]propan-2-ol
CID 168636860
1-chloro-3-[(5-isocyanonaphthalen-1-yl)amino]propan-2-ol
CID 132523290
1-chloro-3-(3-chloro-2-pyrrolidin-1-ylanilino)propan-2-ol
CID 168637300
1-propan-2-yloxy-3-(5,6,7,8-tetrahydronaphthalen-1-ylamino)propan-2-ol
CID 60897291
4-[(3-chloro-2-hydroxypropyl)amino]naphthalen-1-ol
CID 168636995
5-[(3-chloro-2-hydroxypropyl)amino]-2H-isoquinolin-1-one
CID 168638940
3-(2,3-dihydro-1H-inden-4-ylamino)propane-1,2-diol
CID 168593617
1-chloro-3-[2-(cyclopropylamino)anilino]propan-2-ol
CID 168639689
8-[(3-chloro-2-hydroxypropyl)amino]-3,4-dihydro-1H-quinolin-2-one
CID 168637313
1-chloro-3-[(6-methyl-2,3-dihydro-1H-inden-4-yl)amino]propan-2-ol
CID 168637341
2-[(3-chloro-2-hydroxypropyl)amino]-N-propan-2-ylbenzenesulfonamide
CID 168641055

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-(6,7,8,9-tetrahydrodibenzofuran-4-ylamino)propan-2-ol?
The IUPAC name of 1-chloro-3-(6,7,8,9-tetrahydrodibenzofuran-4-ylamino)propan-2-ol (CID 168637521) is 1-chloro-3-(6,7,8,9-tetrahydrodibenzofuran-4-ylamino)propan-2-ol.
What is the SMILES notation for 1-chloro-3-(6,7,8,9-tetrahydrodibenzofuran-4-ylamino)propan-2-ol?
The canonical SMILES for 1-chloro-3-(6,7,8,9-tetrahydrodibenzofuran-4-ylamino)propan-2-ol is OC(CCl)CNc1cccc2c3c(oc12)CCCC3.
What is the InChIKey of 1-chloro-3-(6,7,8,9-tetrahydrodibenzofuran-4-ylamino)propan-2-ol?
The InChIKey is FPHVALGKLNOPKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNO2/c16-8-10(18)9-17-13-6-3-5-12-11-4-1-2-7-14(11)19-15(12)13/h3,5-6,10,17-18H,1-2,4,7-9H2.
What are the key properties of 1-chloro-3-(6,7,8,9-tetrahydrodibenzofuran-4-ylamino)propan-2-ol?
1-chloro-3-(6,7,8,9-tetrahydrodibenzofuran-4-ylamino)propan-2-ol has a molecular weight of 279.77 g/mol, XLogP of 3.32, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-(6,7,8,9-tetrahydrodibenzofuran-4-ylamino)propan-2-ol is sourced from PubChem (CID 168637521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).