N-[2-(3-bromophenoxy)ethyl]-3,4-dihydro-2H-chromen-4-amine

C17H18BrNO2 — CID 60694319

IUPACN-[2-(3-bromophenoxy)ethyl]-3,4-dihydro-2H-chromen-4-amine
SMILESBrc1cccc(OCCNC2CCOc3ccccc32)c1
InChIInChI=1S/C17H18BrNO2/c18-13-4-3-5-14(12-13)20-11-9-19-16-8-10-21-17-7-2-1-6-15(16)17/h1-7,12,16,19H,8-11H2
InChIKeyAVWYYDPSLZZGMM-UHFFFAOYSA-N
MW348.24 g/mol
LogP3.94
Rot. Bonds5

About N-[2-(3-bromophenoxy)ethyl]-3,4-dihydro-2H-chromen-4-amine

N-[2-(3-bromophenoxy)ethyl]-3,4-dihydro-2H-chromen-4-amine (PubChem CID 60694319) has the molecular formula C17H18BrNO2 and a molecular weight of 348.24 g/mol. Its IUPAC name is N-[2-(3-bromophenoxy)ethyl]-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound NameN-[2-(3-bromophenoxy)ethyl]-3,4-dihydro-2H-chromen-4-amine
PubChem CID60694319
Molecular FormulaC17H18BrNO2
Molecular Weight348.24 g/mol
Exact Mass347.05
IUPAC NameN-[2-(3-bromophenoxy)ethyl]-3,4-dihydro-2H-chromen-4-amine
SMILESBrc1cccc(OCCNC2CCOc3ccccc32)c1
InChIInChI=1S/C17H18BrNO2/c18-13-4-3-5-14(12-13)20-11-9-19-16-8-10-21-17-7-2-1-6-15(16)17/h1-7,12,16,19H,8-11H2
InChIKeyAVWYYDPSLZZGMM-UHFFFAOYSA-N
XLogP3.94
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.24
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(3-methylphenoxy)ethyl]-3,4-dihydro-2H-chromen-4-amine
CID 60694297
(4R)-N-(3-methoxypropyl)-3,4-dihydro-2H-chromen-4-amine
CID 7287154
N-(3-propoxyphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 43693706
N-[3-(cyclopropylmethoxy)propyl]-3,4-dihydro-2H-chromen-4-amine
CID 43206794
3-[2-(3-bromophenoxy)ethylamino]piperidin-2-one
CID 55033106
N-[(5-bromo-2-chlorophenyl)methyl]-3,4-dihydro-2H-chromen-4-amine
CID 103792365
N-(cyclopropylmethyl)-3,4-dihydro-2H-chromen-4-amine
CID 43190759
6-bromo-N-propyl-3,4-dihydro-2H-chromen-4-amine
CID 43512617
N-[2-(3-bromophenoxy)ethyl]-N'-cyclopropyl-N'-methylethane-1,2-diamine
CID 55142004
N'-cyclopropyl-N-(3,4-dihydro-2H-chromen-4-yl)-N'-methylethane-1,2-diamine
CID 62977569
(4S)-N-(3,3-dimethylbutyl)-3,4-dihydro-2H-chromen-4-amine
CID 94276035
2-(3-bromophenoxy)-N-(dicyclopropylmethyl)ethanamine
CID 55024241

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-bromophenoxy)ethyl]-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of N-[2-(3-bromophenoxy)ethyl]-3,4-dihydro-2H-chromen-4-amine (CID 60694319) is N-[2-(3-bromophenoxy)ethyl]-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for N-[2-(3-bromophenoxy)ethyl]-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for N-[2-(3-bromophenoxy)ethyl]-3,4-dihydro-2H-chromen-4-amine is Brc1cccc(OCCNC2CCOc3ccccc32)c1.
What is the InChIKey of N-[2-(3-bromophenoxy)ethyl]-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is AVWYYDPSLZZGMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrNO2/c18-13-4-3-5-14(12-13)20-11-9-19-16-8-10-21-17-7-2-1-6-15(16)17/h1-7,12,16,19H,8-11H2.
What are the key properties of N-[2-(3-bromophenoxy)ethyl]-3,4-dihydro-2H-chromen-4-amine?
N-[2-(3-bromophenoxy)ethyl]-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 348.24 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-bromophenoxy)ethyl]-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 60694319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).