1-(2-chloro-1-benzofuran-3-yl)-N-[(2-methyloxolan-2-yl)methyl]methanamine

C15H18ClNO2 — CID 82704699

IUPAC1-(2-chloro-1-benzofuran-3-yl)-N-[(2-methyloxolan-2-yl)methyl]methanamine
SMILESCC1(CNCc2c(Cl)oc3ccccc23)CCCO1
InChIInChI=1S/C15H18ClNO2/c1-15(7-4-8-18-15)10-17-9-12-11-5-2-3-6-13(11)19-14(12)16/h2-3,5-6,17H,4,7-10H2,1H3
InChIKeyCITVQIWFZWVFHW-UHFFFAOYSA-N
MW279.77 g/mol
LogP3.74
Rot. Bonds4

About 1-(2-chloro-1-benzofuran-3-yl)-N-[(2-methyloxolan-2-yl)methyl]methanamine

1-(2-chloro-1-benzofuran-3-yl)-N-[(2-methyloxolan-2-yl)methyl]methanamine (PubChem CID 82704699) has the molecular formula C15H18ClNO2 and a molecular weight of 279.77 g/mol. Its IUPAC name is 1-(2-chloro-1-benzofuran-3-yl)-N-[(2-methyloxolan-2-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(2-chloro-1-benzofuran-3-yl)-N-[(2-methyloxolan-2-yl)methyl]methanamine
PubChem CID82704699
Molecular FormulaC15H18ClNO2
Molecular Weight279.77 g/mol
Exact Mass279.10
IUPAC Name1-(2-chloro-1-benzofuran-3-yl)-N-[(2-methyloxolan-2-yl)methyl]methanamine
SMILESCC1(CNCc2c(Cl)oc3ccccc23)CCCO1
InChIInChI=1S/C15H18ClNO2/c1-15(7-4-8-18-15)10-17-9-12-11-5-2-3-6-13(11)19-14(12)16/h2-3,5-6,17H,4,7-10H2,1H3
InChIKeyCITVQIWFZWVFHW-UHFFFAOYSA-N
XLogP3.74
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.77
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-chloro-1-benzofuran-3-yl)methyl]-1-methylcyclohexan-1-amine
CID 82760458
3-[[(2-chloro-1-benzofuran-3-yl)methylamino]methyl]-2-methyloxolan-3-ol
CID 107268423
N-[(2-chloro-1-benzofuran-3-yl)methyl]-1-ethylcyclobutan-1-amine
CID 113488701
N-[(2-chloro-1-benzofuran-3-yl)methyl]-2-methylprop-2-en-1-amine
CID 114615968
1-(2-chloro-1-benzofuran-3-yl)-N-methylmethanamine
CID 82704880
2-[(2-chloro-1-benzofuran-3-yl)methyl]-1,1-dimethylhydrazine
CID 83004186
N-[(2-chloro-1-benzofuran-3-yl)methyl]-3,3-dimethylcyclohexan-1-amine
CID 82760539
N-[(2-chloro-1-benzofuran-3-yl)methyl]-2-piperidin-1-ylpropan-1-amine
CID 82764654
N-[(2-chloro-1-benzofuran-3-yl)methyl]-2-cyclopentylethanamine
CID 82759724
N-[(2-chloro-1-benzofuran-3-yl)methyl]-2,2,2-trifluoroethanamine
CID 82757959
2,6-dichloro-4-[[(2-methyloxolan-2-yl)methylamino]methyl]aniline
CID 82841408
1-[(2-chloro-1-benzofuran-3-yl)methylamino]-3-ethylpentan-2-ol
CID 103866198

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-1-benzofuran-3-yl)-N-[(2-methyloxolan-2-yl)methyl]methanamine?
The IUPAC name of 1-(2-chloro-1-benzofuran-3-yl)-N-[(2-methyloxolan-2-yl)methyl]methanamine (CID 82704699) is 1-(2-chloro-1-benzofuran-3-yl)-N-[(2-methyloxolan-2-yl)methyl]methanamine.
What is the SMILES notation for 1-(2-chloro-1-benzofuran-3-yl)-N-[(2-methyloxolan-2-yl)methyl]methanamine?
The canonical SMILES for 1-(2-chloro-1-benzofuran-3-yl)-N-[(2-methyloxolan-2-yl)methyl]methanamine is CC1(CNCc2c(Cl)oc3ccccc23)CCCO1.
What is the InChIKey of 1-(2-chloro-1-benzofuran-3-yl)-N-[(2-methyloxolan-2-yl)methyl]methanamine?
The InChIKey is CITVQIWFZWVFHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNO2/c1-15(7-4-8-18-15)10-17-9-12-11-5-2-3-6-13(11)19-14(12)16/h2-3,5-6,17H,4,7-10H2,1H3.
What are the key properties of 1-(2-chloro-1-benzofuran-3-yl)-N-[(2-methyloxolan-2-yl)methyl]methanamine?
1-(2-chloro-1-benzofuran-3-yl)-N-[(2-methyloxolan-2-yl)methyl]methanamine has a molecular weight of 279.77 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-1-benzofuran-3-yl)-N-[(2-methyloxolan-2-yl)methyl]methanamine is sourced from PubChem (CID 82704699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).