(2S)-2-[(5-chlorofuran-2-yl)methylamino]propan-1-ol

C8H12ClNO2 — CID 93318255

IUPAC(2S)-2-[(5-chlorofuran-2-yl)methylamino]propan-1-ol
SMILESC[C@@H](CO)NCc1ccc(Cl)o1
InChIInChI=1S/C8H12ClNO2/c1-6(5-11)10-4-7-2-3-8(9)12-7/h2-3,6,10-11H,4-5H2,1H3/t6-/m0/s1
InChIKeyITIDBKYSPPOZIN-LURJTMIESA-N
MW189.64 g/mol
LogP1.40
Rot. Bonds4

About (2S)-2-[(5-chlorofuran-2-yl)methylamino]propan-1-ol

(2S)-2-[(5-chlorofuran-2-yl)methylamino]propan-1-ol (PubChem CID 93318255) has the molecular formula C8H12ClNO2 and a molecular weight of 189.64 g/mol. Its IUPAC name is (2S)-2-[(5-chlorofuran-2-yl)methylamino]propan-1-ol.

Molecular Properties

Compound Name(2S)-2-[(5-chlorofuran-2-yl)methylamino]propan-1-ol
PubChem CID93318255
Molecular FormulaC8H12ClNO2
Molecular Weight189.64 g/mol
Exact Mass189.06
IUPAC Name(2S)-2-[(5-chlorofuran-2-yl)methylamino]propan-1-ol
SMILESC[C@@H](CO)NCc1ccc(Cl)o1
InChIInChI=1S/C8H12ClNO2/c1-6(5-11)10-4-7-2-3-8(9)12-7/h2-3,6,10-11H,4-5H2,1H3/t6-/m0/s1
InChIKeyITIDBKYSPPOZIN-LURJTMIESA-N
XLogP1.40
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.64
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[(5-chlorofuran-2-yl)methylamino]propan-1-ol
CID 93318256
N-[(5-chlorofuran-2-yl)methyl]-5-methylhexan-2-amine
CID 60663070
2-[(5-bromofuran-2-yl)methylamino]propan-1-ol
CID 43499711
N-[(5-chlorofuran-2-yl)methyl]-1-(2-chlorophenyl)propan-2-amine
CID 60780252
N-[(5-chlorofuran-2-yl)methyl]-3-ethylpentan-2-amine
CID 63842241
2-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylamino]propan-1-ol
CID 43776345
N-[(5-chlorofuran-2-yl)methyl]-1-pyridin-2-ylethanamine
CID 60664381
2-[(5-chlorofuran-2-yl)methylamino]-N-ethyl-N-methylpropanamide
CID 103107113
methyl 2-[(5-chlorofuran-2-yl)methylamino]-4-methylpentanoate
CID 60780311
N-[(5-chlorofuran-2-yl)methyl]-1-thiophen-3-ylethanamine
CID 62840287
5-[(5-chlorofuran-2-yl)methylamino]pentan-2-ol
CID 107267883
[5-[(1-methylsulfonylpropan-2-ylamino)methyl]furan-2-yl]methanol
CID 64631010

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(5-chlorofuran-2-yl)methylamino]propan-1-ol?
The IUPAC name of (2S)-2-[(5-chlorofuran-2-yl)methylamino]propan-1-ol (CID 93318255) is (2S)-2-[(5-chlorofuran-2-yl)methylamino]propan-1-ol.
What is the SMILES notation for (2S)-2-[(5-chlorofuran-2-yl)methylamino]propan-1-ol?
The canonical SMILES for (2S)-2-[(5-chlorofuran-2-yl)methylamino]propan-1-ol is C[C@@H](CO)NCc1ccc(Cl)o1.
What is the InChIKey of (2S)-2-[(5-chlorofuran-2-yl)methylamino]propan-1-ol?
The InChIKey is ITIDBKYSPPOZIN-LURJTMIESA-N. The full InChI is InChI=1S/C8H12ClNO2/c1-6(5-11)10-4-7-2-3-8(9)12-7/h2-3,6,10-11H,4-5H2,1H3/t6-/m0/s1.
What are the key properties of (2S)-2-[(5-chlorofuran-2-yl)methylamino]propan-1-ol?
(2S)-2-[(5-chlorofuran-2-yl)methylamino]propan-1-ol has a molecular weight of 189.64 g/mol, XLogP of 1.40, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(5-chlorofuran-2-yl)methylamino]propan-1-ol is sourced from PubChem (CID 93318255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).