2-(4-chlorophenyl)-1-(3,4-dihydro-2H-chromen-4-yl)-N-methylethanamine

C18H20ClNO — CID 65411645

IUPAC2-(4-chlorophenyl)-1-(3,4-dihydro-2H-chromen-4-yl)-N-methylethanamine
SMILESCNC(Cc1ccc(Cl)cc1)C1CCOc2ccccc21
InChIInChI=1S/C18H20ClNO/c1-20-17(12-13-6-8-14(19)9-7-13)15-10-11-21-18-5-3-2-4-16(15)18/h2-9,15,17,20H,10-12H2,1H3
InChIKeyKREZMLGJRJXHHF-UHFFFAOYSA-N
MW301.82 g/mol
LogP4.04
Rot. Bonds4

About 2-(4-chlorophenyl)-1-(3,4-dihydro-2H-chromen-4-yl)-N-methylethanamine

2-(4-chlorophenyl)-1-(3,4-dihydro-2H-chromen-4-yl)-N-methylethanamine (PubChem CID 65411645) has the molecular formula C18H20ClNO and a molecular weight of 301.82 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-1-(3,4-dihydro-2H-chromen-4-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-1-(3,4-dihydro-2H-chromen-4-yl)-N-methylethanamine
PubChem CID65411645
Molecular FormulaC18H20ClNO
Molecular Weight301.82 g/mol
Exact Mass301.12
IUPAC Name2-(4-chlorophenyl)-1-(3,4-dihydro-2H-chromen-4-yl)-N-methylethanamine
SMILESCNC(Cc1ccc(Cl)cc1)C1CCOc2ccccc21
InChIInChI=1S/C18H20ClNO/c1-20-17(12-13-6-8-14(19)9-7-13)15-10-11-21-18-5-3-2-4-16(15)18/h2-9,15,17,20H,10-12H2,1H3
InChIKeyKREZMLGJRJXHHF-UHFFFAOYSA-N
XLogP4.04
TPSA21.26 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 ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(3,4-dihydro-2H-chromen-4-yl)-2-(4-fluorophenyl)ethyl]hydrazine
CID 105233739
[2-(3-chlorophenyl)-1-(3,4-dihydro-2H-chromen-4-yl)ethyl]hydrazine
CID 105233880
2-(3-bromothiophen-2-yl)-1-(3,4-dihydro-2H-chromen-4-yl)-N-methylethanamine
CID 65410469
2-(4-chloro-3-fluorophenyl)-1-(2,3-dihydro-1-benzofuran-3-yl)-N-methylethanamine
CID 107885094
1-cyclopropyl-1-(3,4-dihydro-2H-chromen-4-yl)-N-methylmethanamine
CID 65412626
1-(2,5-dichlorophenyl)-1-(3,4-dihydro-2H-chromen-4-yl)-N-methylmethanamine
CID 63710100
[2-(5-chlorothiophen-2-yl)-1-(3,4-dihydro-2H-chromen-4-yl)ethyl]hydrazine
CID 105233865
1-(3-bromo-4-fluorophenyl)-1-(3,4-dihydro-2H-chromen-4-yl)-N-methylmethanamine
CID 79723538
1-(3,4-dihydro-2H-chromen-4-yl)-N,2-dimethylprop-2-en-1-amine
CID 79179277
3-[2-(3,4-dihydro-2H-chromen-4-yl)-2-hydrazinylethyl]pyridin-2-amine
CID 105233874
2-(2,3-dichlorophenyl)-1-(3,4-dihydro-2H-chromen-4-yl)ethanol
CID 107308166
[1-(3,4-dihydro-2H-chromen-4-yl)-2-propan-2-yloxyethyl]hydrazine
CID 105233876

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-1-(3,4-dihydro-2H-chromen-4-yl)-N-methylethanamine?
The IUPAC name of 2-(4-chlorophenyl)-1-(3,4-dihydro-2H-chromen-4-yl)-N-methylethanamine (CID 65411645) is 2-(4-chlorophenyl)-1-(3,4-dihydro-2H-chromen-4-yl)-N-methylethanamine.
What is the SMILES notation for 2-(4-chlorophenyl)-1-(3,4-dihydro-2H-chromen-4-yl)-N-methylethanamine?
The canonical SMILES for 2-(4-chlorophenyl)-1-(3,4-dihydro-2H-chromen-4-yl)-N-methylethanamine is CNC(Cc1ccc(Cl)cc1)C1CCOc2ccccc21.
What is the InChIKey of 2-(4-chlorophenyl)-1-(3,4-dihydro-2H-chromen-4-yl)-N-methylethanamine?
The InChIKey is KREZMLGJRJXHHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO/c1-20-17(12-13-6-8-14(19)9-7-13)15-10-11-21-18-5-3-2-4-16(15)18/h2-9,15,17,20H,10-12H2,1H3.
What are the key properties of 2-(4-chlorophenyl)-1-(3,4-dihydro-2H-chromen-4-yl)-N-methylethanamine?
2-(4-chlorophenyl)-1-(3,4-dihydro-2H-chromen-4-yl)-N-methylethanamine has a molecular weight of 301.82 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-1-(3,4-dihydro-2H-chromen-4-yl)-N-methylethanamine is sourced from PubChem (CID 65411645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).