N-[(4-bromophenyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]ethanamine

C18H20BrNO — CID 43493498

IUPACN-[(4-bromophenyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]ethanamine
SMILESCCNC(c1ccc(Br)cc1)c1ccc2c(c1)CC(C)O2
InChIInChI=1S/C18H20BrNO/c1-3-20-18(13-4-7-16(19)8-5-13)14-6-9-17-15(11-14)10-12(2)21-17/h4-9,11-12,18,20H,3,10H2,1-2H3
InChIKeyVPKWDNALLNDFJH-UHFFFAOYSA-N
MW346.27 g/mol
LogP4.47
Rot. Bonds4

About N-[(4-bromophenyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]ethanamine

N-[(4-bromophenyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]ethanamine (PubChem CID 43493498) has the molecular formula C18H20BrNO and a molecular weight of 346.27 g/mol. Its IUPAC name is N-[(4-bromophenyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-bromophenyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]ethanamine
PubChem CID43493498
Molecular FormulaC18H20BrNO
Molecular Weight346.27 g/mol
Exact Mass345.07
IUPAC NameN-[(4-bromophenyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]ethanamine
SMILESCCNC(c1ccc(Br)cc1)c1ccc2c(c1)CC(C)O2
InChIInChI=1S/C18H20BrNO/c1-3-20-18(13-4-7-16(19)8-5-13)14-6-9-17-15(11-14)10-12(2)21-17/h4-9,11-12,18,20H,3,10H2,1-2H3
InChIKeyVPKWDNALLNDFJH-UHFFFAOYSA-N
XLogP4.47
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.27
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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
N,2-diethyl-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)butan-1-amine
CID 43493507
(2S)-5-bromo-2-methyl-2,3-dihydro-1-benzofuran
CID 93279299
5-bromo-2-methyl-2,3-dihydro-1-benzofuran
CID 13301601
2-cyclopropyl-N-ethyl-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethanamine
CID 55032271
5-(1-bromobutyl)-2-methyl-2,3-dihydro-1-benzofuran
CID 63443124
N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-(5-methylfuran-2-yl)methyl]propan-1-amine
CID 43498090
3-cyclopentyl-N-ethyl-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)propan-1-amine
CID 43493488
(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)-N-propylbutan-1-amine
CID 43498124

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]ethanamine?
The IUPAC name of N-[(4-bromophenyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]ethanamine (CID 43493498) is N-[(4-bromophenyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]ethanamine.
What is the SMILES notation for N-[(4-bromophenyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]ethanamine?
The canonical SMILES for N-[(4-bromophenyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]ethanamine is CCNC(c1ccc(Br)cc1)c1ccc2c(c1)CC(C)O2.
What is the InChIKey of N-[(4-bromophenyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]ethanamine?
The InChIKey is VPKWDNALLNDFJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrNO/c1-3-20-18(13-4-7-16(19)8-5-13)14-6-9-17-15(11-14)10-12(2)21-17/h4-9,11-12,18,20H,3,10H2,1-2H3.
What are the key properties of N-[(4-bromophenyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]ethanamine?
N-[(4-bromophenyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]ethanamine has a molecular weight of 346.27 g/mol, XLogP of 4.47, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]ethanamine is sourced from PubChem (CID 43493498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).