5-[[2-amino-1-(2,2-dimethyl-3H-1-benzofuran-7-yl)ethyl]amino]pentan-1-ol

C17H28N2O2 — CID 107316846

IUPAC5-[[2-amino-1-(2,2-dimethyl-3H-1-benzofuran-7-yl)ethyl]amino]pentan-1-ol
SMILESCC1(C)Cc2cccc(C(CN)NCCCCCO)c2O1
InChIInChI=1S/C17H28N2O2/c1-17(2)11-13-7-6-8-14(16(13)21-17)15(12-18)19-9-4-3-5-10-20/h6-8,15,19-20H,3-5,9-12,18H2,1-2H3
InChIKeyHZRBMPNSXYXADL-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.15
Rot. Bonds8

About 5-[[2-amino-1-(2,2-dimethyl-3H-1-benzofuran-7-yl)ethyl]amino]pentan-1-ol

5-[[2-amino-1-(2,2-dimethyl-3H-1-benzofuran-7-yl)ethyl]amino]pentan-1-ol (PubChem CID 107316846) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 5-[[2-amino-1-(2,2-dimethyl-3H-1-benzofuran-7-yl)ethyl]amino]pentan-1-ol.

Molecular Properties

Compound Name5-[[2-amino-1-(2,2-dimethyl-3H-1-benzofuran-7-yl)ethyl]amino]pentan-1-ol
PubChem CID107316846
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name5-[[2-amino-1-(2,2-dimethyl-3H-1-benzofuran-7-yl)ethyl]amino]pentan-1-ol
SMILESCC1(C)Cc2cccc(C(CN)NCCCCCO)c2O1
InChIInChI=1S/C17H28N2O2/c1-17(2)11-13-7-6-8-14(16(13)21-17)15(12-18)19-9-4-3-5-10-20/h6-8,15,19-20H,3-5,9-12,18H2,1-2H3
InChIKeyHZRBMPNSXYXADL-UHFFFAOYSA-N
XLogP2.15
TPSA67.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-2-(3-hydroxypropylamino)acetonitrile
CID 64507716
1-(2,2-dimethyl-3H-1-benzofuran-7-yl)-2-(propylamino)ethanol
CID 64512125
2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-2-ethoxyethanamine
CID 66073414
5-[[2-amino-1-[2-(methoxymethyl)phenyl]ethyl]amino]pentan-1-ol
CID 107316874
5-[[2-amino-1-(5-bromofuran-2-yl)ethyl]amino]pentan-1-ol
CID 107316996
2-(aminomethyl)-3-(2,2-dimethyl-3H-1-benzofuran-7-yl)propan-1-ol
CID 64508349
5-[(2-amino-1-quinolin-8-ylethyl)amino]pentan-1-ol
CID 107316843
N-butan-2-yl-1-(2,2-dimethyl-3H-1-benzofuran-7-yl)-N-methylethane-1,2-diamine
CID 64509077
5-[[2-amino-1-(2,6-difluorophenyl)ethyl]amino]pentan-1-ol
CID 107317087
methyl 4-(2,2-dimethyl-3H-1-benzofuran-7-yl)-4-hydroxybutanoate
CID 64507467
2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-2-thiomorpholin-4-ylethanamine
CID 64509072
2-(2,2-dimethyl-3H-1-benzofuran-7-yl)propanoic acid
CID 117314266

Frequently Asked Questions

What is the IUPAC name of 5-[[2-amino-1-(2,2-dimethyl-3H-1-benzofuran-7-yl)ethyl]amino]pentan-1-ol?
The IUPAC name of 5-[[2-amino-1-(2,2-dimethyl-3H-1-benzofuran-7-yl)ethyl]amino]pentan-1-ol (CID 107316846) is 5-[[2-amino-1-(2,2-dimethyl-3H-1-benzofuran-7-yl)ethyl]amino]pentan-1-ol.
What is the SMILES notation for 5-[[2-amino-1-(2,2-dimethyl-3H-1-benzofuran-7-yl)ethyl]amino]pentan-1-ol?
The canonical SMILES for 5-[[2-amino-1-(2,2-dimethyl-3H-1-benzofuran-7-yl)ethyl]amino]pentan-1-ol is CC1(C)Cc2cccc(C(CN)NCCCCCO)c2O1.
What is the InChIKey of 5-[[2-amino-1-(2,2-dimethyl-3H-1-benzofuran-7-yl)ethyl]amino]pentan-1-ol?
The InChIKey is HZRBMPNSXYXADL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-17(2)11-13-7-6-8-14(16(13)21-17)15(12-18)19-9-4-3-5-10-20/h6-8,15,19-20H,3-5,9-12,18H2,1-2H3.
What are the key properties of 5-[[2-amino-1-(2,2-dimethyl-3H-1-benzofuran-7-yl)ethyl]amino]pentan-1-ol?
5-[[2-amino-1-(2,2-dimethyl-3H-1-benzofuran-7-yl)ethyl]amino]pentan-1-ol has a molecular weight of 292.42 g/mol, XLogP of 2.15, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-amino-1-(2,2-dimethyl-3H-1-benzofuran-7-yl)ethyl]amino]pentan-1-ol is sourced from PubChem (CID 107316846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).