1-[(4-chlorophenoxy)methyl]-3,4-dihydroisoquinoline

C16H14ClNO — CID 29069

IUPAC1-[(4-chlorophenoxy)methyl]-3,4-dihydroisoquinoline
SMILESClc1ccc(OCC2=NCCc3ccccc32)cc1
InChIInChI=1S/C16H14ClNO/c17-13-5-7-14(8-6-13)19-11-16-15-4-2-1-3-12(15)9-10-18-16/h1-8H,9-11H2
InChIKeyYHDHSSBAHPSMPM-UHFFFAOYSA-N
MW271.75 g/mol
LogP3.76
Rot. Bonds3

About 1-[(4-chlorophenoxy)methyl]-3,4-dihydroisoquinoline

1-[(4-chlorophenoxy)methyl]-3,4-dihydroisoquinoline (PubChem CID 29069) has the molecular formula C16H14ClNO and a molecular weight of 271.75 g/mol. Its IUPAC name is 1-[(4-chlorophenoxy)methyl]-3,4-dihydroisoquinoline.

Molecular Properties

Compound Name1-[(4-chlorophenoxy)methyl]-3,4-dihydroisoquinoline
PubChem CID29069
Molecular FormulaC16H14ClNO
Molecular Weight271.75 g/mol
Exact Mass271.08
IUPAC Name1-[(4-chlorophenoxy)methyl]-3,4-dihydroisoquinoline
SMILESClc1ccc(OCC2=NCCc3ccccc32)cc1
InChIInChI=1S/C16H14ClNO/c17-13-5-7-14(8-6-13)19-11-16-15-4-2-1-3-12(15)9-10-18-16/h1-8H,9-11H2
InChIKeyYHDHSSBAHPSMPM-UHFFFAOYSA-N
XLogP3.76
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.75
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Famotine Hydrochloride
CID 208950
Memotine
CID 25350
Memotine Hydrochloride
CID 9948392
N'-(6-Chloro-2-phenyl-4H-chromen-4-ylidene)-N,N-dimethyl-1,2-ethanediamine
CID 733532
3,3-Dimethyl-1-phenoxymethyl-3,4-dihydro-isoquinoline
CID 24746907
1-[(4-Fluorophenoxy)methyl]-3,4-dihydroisoquinoline
CID 15956590
1-[(3-Fluorophenoxy)methyl]-3,4-dihydroisoquinoline
CID 15956598
3-(6-Chloro-2-phenylchromen-4-ylidene)-3-azapropan-1-ol
CID 3864987
1-(Phenoxymethyl)-3,4-dihydroisoquinoline
CID 13728593
4-(3,4-Dihydroisoquinolin-1-ylmethoxy)phenol
CID 15956592
N-(6-Chloro-2-phenyl-4H-chromen-4-ylidene)-2-methoxyethanamine
CID 1646175
4-(3,4-Dihydroisoquinolin-1-ylmethoxy)benzonitrile
CID 15956589

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenoxy)methyl]-3,4-dihydroisoquinoline?
The IUPAC name of 1-[(4-chlorophenoxy)methyl]-3,4-dihydroisoquinoline (CID 29069) is 1-[(4-chlorophenoxy)methyl]-3,4-dihydroisoquinoline.
What is the SMILES notation for 1-[(4-chlorophenoxy)methyl]-3,4-dihydroisoquinoline?
The canonical SMILES for 1-[(4-chlorophenoxy)methyl]-3,4-dihydroisoquinoline is Clc1ccc(OCC2=NCCc3ccccc32)cc1.
What is the InChIKey of 1-[(4-chlorophenoxy)methyl]-3,4-dihydroisoquinoline?
The InChIKey is YHDHSSBAHPSMPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClNO/c17-13-5-7-14(8-6-13)19-11-16-15-4-2-1-3-12(15)9-10-18-16/h1-8H,9-11H2.
What are the key properties of 1-[(4-chlorophenoxy)methyl]-3,4-dihydroisoquinoline?
1-[(4-chlorophenoxy)methyl]-3,4-dihydroisoquinoline has a molecular weight of 271.75 g/mol, XLogP of 3.76, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenoxy)methyl]-3,4-dihydroisoquinoline is sourced from PubChem (CID 29069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).