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

C18H18ClNO — CID 66392019

IUPACN-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-phenylcyclopropan-1-amine
SMILESClc1ccc2c(c1)CC(CNC1CC1c1ccccc1)O2
InChIInChI=1S/C18H18ClNO/c19-14-6-7-18-13(8-14)9-15(21-18)11-20-17-10-16(17)12-4-2-1-3-5-12/h1-8,15-17,20H,9-11H2
InChIKeyUNLNEMFJGAZRFC-UHFFFAOYSA-N
MW299.80 g/mol
LogP3.79
Rot. Bonds4

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

N-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-phenylcyclopropan-1-amine (PubChem CID 66392019) has the molecular formula C18H18ClNO and a molecular weight of 299.80 g/mol. Its IUPAC name is N-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-phenylcyclopropan-1-amine.

Molecular Properties

Compound NameN-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-phenylcyclopropan-1-amine
PubChem CID66392019
Molecular FormulaC18H18ClNO
Molecular Weight299.80 g/mol
Exact Mass299.11
IUPAC NameN-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-phenylcyclopropan-1-amine
SMILESClc1ccc2c(c1)CC(CNC1CC1c1ccccc1)O2
InChIInChI=1S/C18H18ClNO/c19-14-6-7-18-13(8-14)9-15(21-18)11-20-17-10-16(17)12-4-2-1-3-5-12/h1-8,15-17,20H,9-11H2
InChIKeyUNLNEMFJGAZRFC-UHFFFAOYSA-N
XLogP3.79
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.80
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-N-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-phenylethanamine
CID 66392619
N-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 66393175
1-(5-chloro-2,3-dihydro-1-benzofuran-2-yl)-N-[(4-chlorophenyl)methyl]methanamine
CID 66391607
N-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-methylaniline
CID 66393539
4-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methylamino]cyclohexane-1-carboxylic acid
CID 66362361
5-chloro-2-(phenylselanylmethyl)-2,3-dihydro-1-benzofuran
CID 56961244
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl]methanamine
CID 66394858
4-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methylamino]pyrrolidin-2-one
CID 106189567
[(2S)-5-chloro-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 40566108
N-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-methylpyrrolidin-3-amine
CID 66392403
4-chloro-N-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-iodoaniline
CID 107635356
N-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl]-4-fluoroaniline
CID 66392577

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-phenylcyclopropan-1-amine?
The IUPAC name of N-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-phenylcyclopropan-1-amine (CID 66392019) is N-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-phenylcyclopropan-1-amine.
What is the SMILES notation for N-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-phenylcyclopropan-1-amine?
The canonical SMILES for N-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-phenylcyclopropan-1-amine is Clc1ccc2c(c1)CC(CNC1CC1c1ccccc1)O2.
What is the InChIKey of N-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-phenylcyclopropan-1-amine?
The InChIKey is UNLNEMFJGAZRFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClNO/c19-14-6-7-18-13(8-14)9-15(21-18)11-20-17-10-16(17)12-4-2-1-3-5-12/h1-8,15-17,20H,9-11H2.
What are the key properties of N-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-phenylcyclopropan-1-amine?
N-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-phenylcyclopropan-1-amine has a molecular weight of 299.80 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-phenylcyclopropan-1-amine is sourced from PubChem (CID 66392019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).