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

C18H21NO2 — CID 60694297

IUPACN-[2-(3-methylphenoxy)ethyl]-3,4-dihydro-2H-chromen-4-amine
SMILESCc1cccc(OCCNC2CCOc3ccccc32)c1
InChIInChI=1S/C18H21NO2/c1-14-5-4-6-15(13-14)20-12-10-19-17-9-11-21-18-8-3-2-7-16(17)18/h2-8,13,17,19H,9-12H2,1H3
InChIKeyZYHLZKOTOUHOMP-UHFFFAOYSA-N
MW283.37 g/mol
LogP3.49
Rot. Bonds5

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

N-[2-(3-methylphenoxy)ethyl]-3,4-dihydro-2H-chromen-4-amine (PubChem CID 60694297) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is N-[2-(3-methylphenoxy)ethyl]-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound NameN-[2-(3-methylphenoxy)ethyl]-3,4-dihydro-2H-chromen-4-amine
PubChem CID60694297
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC NameN-[2-(3-methylphenoxy)ethyl]-3,4-dihydro-2H-chromen-4-amine
SMILESCc1cccc(OCCNC2CCOc3ccccc32)c1
InChIInChI=1S/C18H21NO2/c1-14-5-4-6-15(13-14)20-12-10-19-17-9-11-21-18-8-3-2-7-16(17)18/h2-8,13,17,19H,9-12H2,1H3
InChIKeyZYHLZKOTOUHOMP-UHFFFAOYSA-N
XLogP3.49
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.49
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-bromophenoxy)ethyl]-3,4-dihydro-2H-chromen-4-amine
CID 60694319
N-[2-(3-methylphenoxy)ethyl]cyclopentanamine
CID 54798962
N-(3-propoxyphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 43693706
N-[2-(3-methylphenoxy)ethyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 62841620
N-[3-(cyclopropylmethoxy)propyl]-3,4-dihydro-2H-chromen-4-amine
CID 43206794
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
N-(cyclopropylmethyl)-3,4-dihydro-2H-chromen-4-amine
CID 43190759
1-(3,4-dihydro-2H-chromen-4-yl)-2-[2-(3-methylphenoxy)propyl]guanidine
CID 111820684
N-(2-ethylsulfonylethyl)-3,4-dihydro-2H-chromen-4-amine
CID 55063038
1-(3,4-dihydro-2H-chromen-4-yl)-2-[2-(3-methylphenoxy)propyl]guanidine;hydroiodide
CID 111820683
6-methoxy-N-(2-methoxyethyl)-3,4-dihydro-2H-chromen-4-amine
CID 43756306

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methylphenoxy)ethyl]-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of N-[2-(3-methylphenoxy)ethyl]-3,4-dihydro-2H-chromen-4-amine (CID 60694297) is N-[2-(3-methylphenoxy)ethyl]-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for N-[2-(3-methylphenoxy)ethyl]-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for N-[2-(3-methylphenoxy)ethyl]-3,4-dihydro-2H-chromen-4-amine is Cc1cccc(OCCNC2CCOc3ccccc32)c1.
What is the InChIKey of N-[2-(3-methylphenoxy)ethyl]-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is ZYHLZKOTOUHOMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-14-5-4-6-15(13-14)20-12-10-19-17-9-11-21-18-8-3-2-7-16(17)18/h2-8,13,17,19H,9-12H2,1H3.
What are the key properties of N-[2-(3-methylphenoxy)ethyl]-3,4-dihydro-2H-chromen-4-amine?
N-[2-(3-methylphenoxy)ethyl]-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 283.37 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methylphenoxy)ethyl]-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 60694297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).