N-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl]-4-(furan-2-yl)butan-2-amine

C17H20ClNO2 — CID 66392797

IUPACN-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl]-4-(furan-2-yl)butan-2-amine
SMILESCC(CCc1ccco1)NCC1Cc2cc(Cl)ccc2O1
InChIInChI=1S/C17H20ClNO2/c1-12(4-6-15-3-2-8-20-15)19-11-16-10-13-9-14(18)5-7-17(13)21-16/h2-3,5,7-9,12,16,19H,4,6,10-11H2,1H3
InChIKeyPCPLCPDVZJMJCP-UHFFFAOYSA-N
MW305.81 g/mol
LogP3.85
Rot. Bonds6

About N-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl]-4-(furan-2-yl)butan-2-amine

N-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl]-4-(furan-2-yl)butan-2-amine (PubChem CID 66392797) has the molecular formula C17H20ClNO2 and a molecular weight of 305.81 g/mol. Its IUPAC name is N-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl]-4-(furan-2-yl)butan-2-amine.

Molecular Properties

Compound NameN-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl]-4-(furan-2-yl)butan-2-amine
PubChem CID66392797
Molecular FormulaC17H20ClNO2
Molecular Weight305.81 g/mol
Exact Mass305.12
IUPAC NameN-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl]-4-(furan-2-yl)butan-2-amine
SMILESCC(CCc1ccco1)NCC1Cc2cc(Cl)ccc2O1
InChIInChI=1S/C17H20ClNO2/c1-12(4-6-15-3-2-8-20-15)19-11-16-10-13-9-14(18)5-7-17(13)21-16/h2-3,5,7-9,12,16,19H,4,6,10-11H2,1H3
InChIKeyPCPLCPDVZJMJCP-UHFFFAOYSA-N
XLogP3.85
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-(furan-2-yl)propan-2-amine
CID 66364684
(1S)-N-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-phenylethanamine
CID 66392619
(1S)-N-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-(3-chlorophenyl)ethanamine
CID 81370641
N-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-(2,5-dimethylfuran-3-yl)ethanamine
CID 66392607
N-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-cyclohexylethanamine
CID 66391635
2-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methylamino]-3-methylbutanoic acid
CID 66361012
N-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-methylsulfanylpropan-1-amine
CID 113466476
3-[[4-(furan-2-yl)butan-2-ylamino]methyl]cyclobutan-1-ol
CID 66004063
N-[(4-ethylcyclohexyl)methyl]-4-(furan-2-yl)butan-2-amine
CID 55191977
3-[[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methylamino]methyl]pentan-3-ol
CID 66393011
N-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine
CID 66392610
1-(5-chloro-2,3-dihydro-1-benzofuran-2-yl)-N-[(4-chlorophenyl)methyl]methanamine
CID 66391607

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl]-4-(furan-2-yl)butan-2-amine?
The IUPAC name of N-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl]-4-(furan-2-yl)butan-2-amine (CID 66392797) is N-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl]-4-(furan-2-yl)butan-2-amine.
What is the SMILES notation for N-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl]-4-(furan-2-yl)butan-2-amine?
The canonical SMILES for N-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl]-4-(furan-2-yl)butan-2-amine is CC(CCc1ccco1)NCC1Cc2cc(Cl)ccc2O1.
What is the InChIKey of N-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl]-4-(furan-2-yl)butan-2-amine?
The InChIKey is PCPLCPDVZJMJCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO2/c1-12(4-6-15-3-2-8-20-15)19-11-16-10-13-9-14(18)5-7-17(13)21-16/h2-3,5,7-9,12,16,19H,4,6,10-11H2,1H3.
What are the key properties of N-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl]-4-(furan-2-yl)butan-2-amine?
N-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl]-4-(furan-2-yl)butan-2-amine has a molecular weight of 305.81 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl]-4-(furan-2-yl)butan-2-amine is sourced from PubChem (CID 66392797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).