N-[(2-chloro-1-benzofuran-3-yl)methyl]-3-(cyclopropylmethoxy)propan-1-amine

C16H20ClNO2 — CID 82705149

IUPACN-[(2-chloro-1-benzofuran-3-yl)methyl]-3-(cyclopropylmethoxy)propan-1-amine
SMILESClc1oc2ccccc2c1CNCCCOCC1CC1
InChIInChI=1S/C16H20ClNO2/c17-16-14(13-4-1-2-5-15(13)20-16)10-18-8-3-9-19-11-12-6-7-12/h1-2,4-5,12,18H,3,6-11H2
InChIKeyVGZMVSCGTRTYJY-UHFFFAOYSA-N
MW293.79 g/mol
LogP3.99
Rot. Bonds8

About N-[(2-chloro-1-benzofuran-3-yl)methyl]-3-(cyclopropylmethoxy)propan-1-amine

N-[(2-chloro-1-benzofuran-3-yl)methyl]-3-(cyclopropylmethoxy)propan-1-amine (PubChem CID 82705149) has the molecular formula C16H20ClNO2 and a molecular weight of 293.79 g/mol. Its IUPAC name is N-[(2-chloro-1-benzofuran-3-yl)methyl]-3-(cyclopropylmethoxy)propan-1-amine.

Molecular Properties

Compound NameN-[(2-chloro-1-benzofuran-3-yl)methyl]-3-(cyclopropylmethoxy)propan-1-amine
PubChem CID82705149
Molecular FormulaC16H20ClNO2
Molecular Weight293.79 g/mol
Exact Mass293.12
IUPAC NameN-[(2-chloro-1-benzofuran-3-yl)methyl]-3-(cyclopropylmethoxy)propan-1-amine
SMILESClc1oc2ccccc2c1CNCCCOCC1CC1
InChIInChI=1S/C16H20ClNO2/c17-16-14(13-4-1-2-5-15(13)20-16)10-18-8-3-9-19-11-12-6-7-12/h1-2,4-5,12,18H,3,6-11H2
InChIKeyVGZMVSCGTRTYJY-UHFFFAOYSA-N
XLogP3.99
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.79
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-chloro-1-benzofuran-3-yl)methyl]-2-cyclopropylethanamine
CID 82705158
N-[(2-chloro-1-benzofuran-3-yl)methyl]-2-cyclopentylethanamine
CID 82759724
3-[(2-chloro-1-benzofuran-3-yl)methylamino]propan-1-ol
CID 82705604
2-[2-[(2-chloro-1-benzofuran-3-yl)methylamino]ethoxy]ethanol
CID 82705701
N-[(2-chloro-1-benzofuran-3-yl)methyl]-5,5,5-trifluoropentan-1-amine
CID 82705985
N-[(2-chloro-1-benzofuran-3-yl)methyl]-N',N'-dimethylbutane-1,4-diamine
CID 82704885
3-butoxy-N-[(2-methyl-1-benzofuran-3-yl)methyl]propan-1-amine
CID 115774516
N-[(2-chloro-1-benzofuran-3-yl)methyl]-N',N'-diethylpropane-1,3-diamine
CID 82758766
N-[(2-chloro-1-benzofuran-3-yl)methyl]-N'-methyl-N'-propan-2-ylbutane-1,4-diamine
CID 82711815
N-[(2-chloro-1-benzofuran-3-yl)methyl]but-3-yn-1-amine
CID 82760375
N-[(2-chloro-1-benzofuran-3-yl)methyl]-2-methylsulfanylethanamine
CID 82705605
N-[(2-butyl-1-benzofuran-3-yl)methyl]-3-ethoxypropan-1-amine
CID 43392217

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-1-benzofuran-3-yl)methyl]-3-(cyclopropylmethoxy)propan-1-amine?
The IUPAC name of N-[(2-chloro-1-benzofuran-3-yl)methyl]-3-(cyclopropylmethoxy)propan-1-amine (CID 82705149) is N-[(2-chloro-1-benzofuran-3-yl)methyl]-3-(cyclopropylmethoxy)propan-1-amine.
What is the SMILES notation for N-[(2-chloro-1-benzofuran-3-yl)methyl]-3-(cyclopropylmethoxy)propan-1-amine?
The canonical SMILES for N-[(2-chloro-1-benzofuran-3-yl)methyl]-3-(cyclopropylmethoxy)propan-1-amine is Clc1oc2ccccc2c1CNCCCOCC1CC1.
What is the InChIKey of N-[(2-chloro-1-benzofuran-3-yl)methyl]-3-(cyclopropylmethoxy)propan-1-amine?
The InChIKey is VGZMVSCGTRTYJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClNO2/c17-16-14(13-4-1-2-5-15(13)20-16)10-18-8-3-9-19-11-12-6-7-12/h1-2,4-5,12,18H,3,6-11H2.
What are the key properties of N-[(2-chloro-1-benzofuran-3-yl)methyl]-3-(cyclopropylmethoxy)propan-1-amine?
N-[(2-chloro-1-benzofuran-3-yl)methyl]-3-(cyclopropylmethoxy)propan-1-amine has a molecular weight of 293.79 g/mol, XLogP of 3.99, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-1-benzofuran-3-yl)methyl]-3-(cyclopropylmethoxy)propan-1-amine is sourced from PubChem (CID 82705149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).