(4S)-8-chloro-N-[(7-methoxy-1-benzofuran-2-yl)methyl]-3,4-dihydro-2H-chromen-4-amine

C19H18ClNO3 — CID 95183007

IUPAC(4S)-8-chloro-N-[(7-methoxy-1-benzofuran-2-yl)methyl]-3,4-dihydro-2H-chromen-4-amine
SMILESCOc1cccc2cc(CN[C@H]3CCOc4c(Cl)cccc43)oc12
InChIInChI=1S/C19H18ClNO3/c1-22-17-7-2-4-12-10-13(24-18(12)17)11-21-16-8-9-23-19-14(16)5-3-6-15(19)20/h2-7,10,16,21H,8-9,11H2,1H3/t16-/m0/s1
InChIKeyGOVSSYVGXIIFOH-INIZCTEOSA-N
MW343.81 g/mol
LogP4.71
Rot. Bonds4

About (4S)-8-chloro-N-[(7-methoxy-1-benzofuran-2-yl)methyl]-3,4-dihydro-2H-chromen-4-amine

(4S)-8-chloro-N-[(7-methoxy-1-benzofuran-2-yl)methyl]-3,4-dihydro-2H-chromen-4-amine (PubChem CID 95183007) has the molecular formula C19H18ClNO3 and a molecular weight of 343.81 g/mol. Its IUPAC name is (4S)-8-chloro-N-[(7-methoxy-1-benzofuran-2-yl)methyl]-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name(4S)-8-chloro-N-[(7-methoxy-1-benzofuran-2-yl)methyl]-3,4-dihydro-2H-chromen-4-amine
PubChem CID95183007
Molecular FormulaC19H18ClNO3
Molecular Weight343.81 g/mol
Exact Mass343.10
IUPAC Name(4S)-8-chloro-N-[(7-methoxy-1-benzofuran-2-yl)methyl]-3,4-dihydro-2H-chromen-4-amine
SMILESCOc1cccc2cc(CN[C@H]3CCOc4c(Cl)cccc43)oc12
InChIInChI=1S/C19H18ClNO3/c1-22-17-7-2-4-12-10-13(24-18(12)17)11-21-16-8-9-23-19-14(16)5-3-6-15(19)20/h2-7,10,16,21H,8-9,11H2,1H3/t16-/m0/s1
InChIKeyGOVSSYVGXIIFOH-INIZCTEOSA-N
XLogP4.71
TPSA43.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.81
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4S)-8-chloro-N-[(7-methoxy-1-benzofuran-2-yl)methyl]-3,4-dihydro-2H-chromen-4-amine with MolForge

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Related Compounds

8-chloro-N-[(4-methoxyphenyl)methyl]-3,4-dihydro-2H-chromen-4-amine
CID 82461632
8-chloro-N-[(4-ethoxy-3-methoxyphenyl)methyl]-3,4-dihydro-2H-chromen-4-amine
CID 47627967
N-[(7-methoxy-1-benzofuran-2-yl)methyl]cyclopent-3-en-1-amine
CID 115696388
N-benzyl-8-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 82461734
3-[(7-methoxy-1-benzofuran-2-yl)methylamino]azepan-2-one
CID 43782021
1-cyclopentyl-N-[(7-methoxy-1-benzofuran-2-yl)methyl]methanamine
CID 43432532
3-[(7-methoxy-1-benzofuran-2-yl)methylamino]azepan-2-one;hydrochloride
CID 47045790
4-[5-[[(8-chloro-3,4-dihydro-2H-chromen-4-yl)amino]methyl]-2-methoxyphenoxy]butanenitrile
CID 49249118
8-methoxy-N-(pyridin-4-ylmethyl)-3,4-dihydro-2H-chromen-4-amine
CID 82461727
N-methoxy-1-(7-methoxy-1-benzofuran-2-yl)methanamine
CID 82707164
N-[(7-methoxy-1-benzofuran-2-yl)methyl]-1,1-dioxothiolan-3-amine
CID 43222617
(5R)-9-chloro-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
CID 97229876

Frequently Asked Questions

What is the IUPAC name of (4S)-8-chloro-N-[(7-methoxy-1-benzofuran-2-yl)methyl]-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of (4S)-8-chloro-N-[(7-methoxy-1-benzofuran-2-yl)methyl]-3,4-dihydro-2H-chromen-4-amine (CID 95183007) is (4S)-8-chloro-N-[(7-methoxy-1-benzofuran-2-yl)methyl]-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for (4S)-8-chloro-N-[(7-methoxy-1-benzofuran-2-yl)methyl]-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for (4S)-8-chloro-N-[(7-methoxy-1-benzofuran-2-yl)methyl]-3,4-dihydro-2H-chromen-4-amine is COc1cccc2cc(CN[C@H]3CCOc4c(Cl)cccc43)oc12.
What is the InChIKey of (4S)-8-chloro-N-[(7-methoxy-1-benzofuran-2-yl)methyl]-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is GOVSSYVGXIIFOH-INIZCTEOSA-N. The full InChI is InChI=1S/C19H18ClNO3/c1-22-17-7-2-4-12-10-13(24-18(12)17)11-21-16-8-9-23-19-14(16)5-3-6-15(19)20/h2-7,10,16,21H,8-9,11H2,1H3/t16-/m0/s1.
What are the key properties of (4S)-8-chloro-N-[(7-methoxy-1-benzofuran-2-yl)methyl]-3,4-dihydro-2H-chromen-4-amine?
(4S)-8-chloro-N-[(7-methoxy-1-benzofuran-2-yl)methyl]-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 343.81 g/mol, XLogP of 4.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-8-chloro-N-[(7-methoxy-1-benzofuran-2-yl)methyl]-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 95183007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).