1-(3-chlorophenyl)-3-(3,4-dihydro-2H-chromen-4-yl)propan-2-amine

C18H20ClNO — CID 104770108

IUPAC1-(3-chlorophenyl)-3-(3,4-dihydro-2H-chromen-4-yl)propan-2-amine
SMILESNC(Cc1cccc(Cl)c1)CC1CCOc2ccccc21
InChIInChI=1S/C18H20ClNO/c19-15-5-3-4-13(10-15)11-16(20)12-14-8-9-21-18-7-2-1-6-17(14)18/h1-7,10,14,16H,8-9,11-12,20H2
InChIKeyUJPPLFQCILUERX-UHFFFAOYSA-N
MW301.82 g/mol
LogP4.17
Rot. Bonds4

About 1-(3-chlorophenyl)-3-(3,4-dihydro-2H-chromen-4-yl)propan-2-amine

1-(3-chlorophenyl)-3-(3,4-dihydro-2H-chromen-4-yl)propan-2-amine (PubChem CID 104770108) has the molecular formula C18H20ClNO and a molecular weight of 301.82 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-(3,4-dihydro-2H-chromen-4-yl)propan-2-amine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-(3,4-dihydro-2H-chromen-4-yl)propan-2-amine
PubChem CID104770108
Molecular FormulaC18H20ClNO
Molecular Weight301.82 g/mol
Exact Mass301.12
IUPAC Name1-(3-chlorophenyl)-3-(3,4-dihydro-2H-chromen-4-yl)propan-2-amine
SMILESNC(Cc1cccc(Cl)c1)CC1CCOc2ccccc21
InChIInChI=1S/C18H20ClNO/c19-15-5-3-4-13(10-15)11-16(20)12-14-8-9-21-18-7-2-1-6-17(14)18/h1-7,10,14,16H,8-9,11-12,20H2
InChIKeyUJPPLFQCILUERX-UHFFFAOYSA-N
XLogP4.17
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 ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(3-chlorophenyl)-1-(3,4-dihydro-2H-chromen-4-yl)ethyl]hydrazine
CID 105233880
1-(5-chloro-2-fluorophenyl)-2-(3,4-dihydro-2H-chromen-4-yl)ethanamine
CID 114886029
1-(3,4-dihydro-2H-chromen-4-yl)-4-propoxybutan-2-amine
CID 105179792
1-[(3-chlorophenyl)methyl]-3-(3,4-dihydro-2H-chromen-4-ylmethyl)-2-methylguanidine;hydroiodide
CID 111835514
[(4R)-3,4-dihydro-2H-chromen-4-yl]methanamine
CID 51887493
[(4S)-3,4-dihydro-2H-chromen-4-yl]methanamine
CID 51887495
1-(2-chloro-3-methylphenyl)-2-(3,4-dihydro-2H-chromen-4-yl)ethanamine
CID 105034300
2-(3,4-dihydro-2H-chromen-4-yl)-1-(2,2-dimethylcyclopropyl)ethanamine
CID 107004950
1-(3,4-dihydro-2H-chromen-4-yl)-3-propoxypropan-2-amine
CID 104770299
1-(3-bromo-4-chlorophenyl)-2-(3,4-dihydro-2H-chromen-4-yl)ethanamine
CID 104770573
3-(3,4-dihydro-2H-chromen-4-yl)-2-fluoropropan-1-amine
CID 104772597
2-[(3-chlorophenyl)methyl-propan-2-ylamino]-N-(3,4-dihydro-2H-chromen-4-yl)acetamide
CID 60512921

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-(3,4-dihydro-2H-chromen-4-yl)propan-2-amine?
The IUPAC name of 1-(3-chlorophenyl)-3-(3,4-dihydro-2H-chromen-4-yl)propan-2-amine (CID 104770108) is 1-(3-chlorophenyl)-3-(3,4-dihydro-2H-chromen-4-yl)propan-2-amine.
What is the SMILES notation for 1-(3-chlorophenyl)-3-(3,4-dihydro-2H-chromen-4-yl)propan-2-amine?
The canonical SMILES for 1-(3-chlorophenyl)-3-(3,4-dihydro-2H-chromen-4-yl)propan-2-amine is NC(Cc1cccc(Cl)c1)CC1CCOc2ccccc21.
What is the InChIKey of 1-(3-chlorophenyl)-3-(3,4-dihydro-2H-chromen-4-yl)propan-2-amine?
The InChIKey is UJPPLFQCILUERX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO/c19-15-5-3-4-13(10-15)11-16(20)12-14-8-9-21-18-7-2-1-6-17(14)18/h1-7,10,14,16H,8-9,11-12,20H2.
What are the key properties of 1-(3-chlorophenyl)-3-(3,4-dihydro-2H-chromen-4-yl)propan-2-amine?
1-(3-chlorophenyl)-3-(3,4-dihydro-2H-chromen-4-yl)propan-2-amine has a molecular weight of 301.82 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-(3,4-dihydro-2H-chromen-4-yl)propan-2-amine is sourced from PubChem (CID 104770108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).