1-(4-chlorophenyl)-3-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)propan-2-amine

C18H20ClNO — CID 66391385

IUPAC1-(4-chlorophenyl)-3-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)propan-2-amine
SMILESCc1ccc2c(c1)CC(CC(N)Cc1ccc(Cl)cc1)O2
InChIInChI=1S/C18H20ClNO/c1-12-2-7-18-14(8-12)10-17(21-18)11-16(20)9-13-3-5-15(19)6-4-13/h2-8,16-17H,9-11,20H2,1H3
InChIKeyVCACLEBKJBTWCP-UHFFFAOYSA-N
MW301.82 g/mol
LogP3.91
Rot. Bonds4

About 1-(4-chlorophenyl)-3-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)propan-2-amine

1-(4-chlorophenyl)-3-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)propan-2-amine (PubChem CID 66391385) has the molecular formula C18H20ClNO and a molecular weight of 301.82 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)propan-2-amine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)propan-2-amine
PubChem CID66391385
Molecular FormulaC18H20ClNO
Molecular Weight301.82 g/mol
Exact Mass301.12
IUPAC Name1-(4-chlorophenyl)-3-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)propan-2-amine
SMILESCc1ccc2c(c1)CC(CC(N)Cc1ccc(Cl)cc1)O2
InChIInChI=1S/C18H20ClNO/c1-12-2-7-18-14(8-12)10-17(21-18)11-16(20)9-13-3-5-15(19)6-4-13/h2-8,16-17H,9-11,20H2,1H3
InChIKeyVCACLEBKJBTWCP-UHFFFAOYSA-N
XLogP3.91
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.82
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-1-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)pentan-2-amine
CID 66394102
3-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]pentan-2-amine
CID 66360046
2-(3-chloro-4-methylpentyl)-5-methyl-2,3-dihydro-1-benzofuran
CID 66361236
1-(6-methyl-2,3-dihydro-1-benzofuran-2-yl)propan-2-amine
CID 117202827
4-methyl-3-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]pentan-2-ol
CID 66360465
2-methyl-3-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)propanoic acid
CID 66360254
3-methyl-2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]butan-1-ol
CID 66393909
[3-chloro-4-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methoxy]phenyl]methanamine
CID 66362855
(2R)-2-(methoxymethyl)-5-methyl-2,3-dihydro-1-benzofuran
CID 58740913
2-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)ethanol
CID 117200722
[(2S)-5-chloro-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 40566108
2-bromo-N-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl]-5-methylaniline
CID 82756944

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)propan-2-amine?
The IUPAC name of 1-(4-chlorophenyl)-3-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)propan-2-amine (CID 66391385) is 1-(4-chlorophenyl)-3-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)propan-2-amine.
What is the SMILES notation for 1-(4-chlorophenyl)-3-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)propan-2-amine?
The canonical SMILES for 1-(4-chlorophenyl)-3-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)propan-2-amine is Cc1ccc2c(c1)CC(CC(N)Cc1ccc(Cl)cc1)O2.
What is the InChIKey of 1-(4-chlorophenyl)-3-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)propan-2-amine?
The InChIKey is VCACLEBKJBTWCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO/c1-12-2-7-18-14(8-12)10-17(21-18)11-16(20)9-13-3-5-15(19)6-4-13/h2-8,16-17H,9-11,20H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-3-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)propan-2-amine?
1-(4-chlorophenyl)-3-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)propan-2-amine has a molecular weight of 301.82 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)propan-2-amine is sourced from PubChem (CID 66391385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).