N,2-diethyl-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)butan-1-amine

C17H27NO — CID 43493507

IUPACN,2-diethyl-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)butan-1-amine
SMILESCCNC(c1ccc2c(c1)CC(C)O2)C(CC)CC
InChIInChI=1S/C17H27NO/c1-5-13(6-2)17(18-7-3)14-8-9-16-15(11-14)10-12(4)19-16/h8-9,11-13,17-18H,5-7,10H2,1-4H3
InChIKeyBAZJPAKMISCOAM-UHFFFAOYSA-N
MW261.41 g/mol
LogP4.10
Rot. Bonds6

About N,2-diethyl-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)butan-1-amine

N,2-diethyl-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)butan-1-amine (PubChem CID 43493507) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is N,2-diethyl-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)butan-1-amine.

Molecular Properties

Compound NameN,2-diethyl-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)butan-1-amine
PubChem CID43493507
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC NameN,2-diethyl-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)butan-1-amine
SMILESCCNC(c1ccc2c(c1)CC(C)O2)C(CC)CC
InChIInChI=1S/C17H27NO/c1-5-13(6-2)17(18-7-3)14-8-9-16-15(11-14)10-12(4)19-16/h8-9,11-13,17-18H,5-7,10H2,1-4H3
InChIKeyBAZJPAKMISCOAM-UHFFFAOYSA-N
XLogP4.10
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-N-propylbutan-1-amine
CID 43498124
2-cyclopropyl-N-ethyl-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethanamine
CID 55032271
N-[(4-bromophenyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]ethanamine
CID 43493498
(1R)-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)propan-1-ol
CID 82758743
(1R)-1-[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]propan-1-amine
CID 42129700
2-ethyl-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)hexan-1-amine
CID 43297172
5-(1-chloro-2-ethylhexyl)-2-methyl-2,3-dihydro-1-benzofuran
CID 63436804
N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-(5-methylfuran-3-yl)methyl]ethanamine
CID 114820033
N-[(2-bromofuran-3-yl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]ethanamine
CID 106851654
3-cyclopentyl-N-ethyl-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)propan-1-amine
CID 43493488
1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)pentan-1-amine
CID 43297168
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N,2-diethylbutan-1-amine
CID 43489566

Frequently Asked Questions

What is the IUPAC name of N,2-diethyl-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)butan-1-amine?
The IUPAC name of N,2-diethyl-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)butan-1-amine (CID 43493507) is N,2-diethyl-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)butan-1-amine.
What is the SMILES notation for N,2-diethyl-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)butan-1-amine?
The canonical SMILES for N,2-diethyl-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)butan-1-amine is CCNC(c1ccc2c(c1)CC(C)O2)C(CC)CC.
What is the InChIKey of N,2-diethyl-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)butan-1-amine?
The InChIKey is BAZJPAKMISCOAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-5-13(6-2)17(18-7-3)14-8-9-16-15(11-14)10-12(4)19-16/h8-9,11-13,17-18H,5-7,10H2,1-4H3.
What are the key properties of N,2-diethyl-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)butan-1-amine?
N,2-diethyl-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)butan-1-amine has a molecular weight of 261.41 g/mol, XLogP of 4.10, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-diethyl-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)butan-1-amine is sourced from PubChem (CID 43493507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).