N-(cyclopropylmethyl)-2-[4-(4-methylphenyl)phenoxy]ethanamine

C19H23NO — CID 62599303

IUPACN-(cyclopropylmethyl)-2-[4-(4-methylphenyl)phenoxy]ethanamine
SMILESCc1ccc(-c2ccc(OCCNCC3CC3)cc2)cc1
InChIInChI=1S/C19H23NO/c1-15-2-6-17(7-3-15)18-8-10-19(11-9-18)21-13-12-20-14-16-4-5-16/h2-3,6-11,16,20H,4-5,12-14H2,1H3
InChIKeyUCJFTAOUAAVIRU-UHFFFAOYSA-N
MW281.40 g/mol
LogP4.04
Rot. Bonds7

About N-(cyclopropylmethyl)-2-[4-(4-methylphenyl)phenoxy]ethanamine

N-(cyclopropylmethyl)-2-[4-(4-methylphenyl)phenoxy]ethanamine (PubChem CID 62599303) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-[4-(4-methylphenyl)phenoxy]ethanamine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-[4-(4-methylphenyl)phenoxy]ethanamine
PubChem CID62599303
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC NameN-(cyclopropylmethyl)-2-[4-(4-methylphenyl)phenoxy]ethanamine
SMILESCc1ccc(-c2ccc(OCCNCC3CC3)cc2)cc1
InChIInChI=1S/C19H23NO/c1-15-2-6-17(7-3-15)18-8-10-19(11-9-18)21-13-12-20-14-16-4-5-16/h2-3,6-11,16,20H,4-5,12-14H2,1H3
InChIKeyUCJFTAOUAAVIRU-UHFFFAOYSA-N
XLogP4.04
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(4-methylphenoxy)-N-[2-(4-methylphenoxy)ethyl]ethanamine
CID 18793139
N-(cyclopropylmethyl)-2-(4-propylphenoxy)ethanamine
CID 62583832
N-[2-[4-(4-methylphenyl)phenoxy]ethyl]propan-1-amine
CID 63516073
2-(4-butan-2-ylphenoxy)-N-(cyclopropylmethyl)ethanamine
CID 107668609
N-(cyclopentylmethyl)-2-(3,4-dimethylphenoxy)ethanamine
CID 62571201
2-(4-tert-butylphenoxy)-N-(cyclohexylmethyl)ethanamine
CID 60664263
N-(cyclopropylmethyl)-2-[4-(4-methylphenyl)phenoxy]acetamide
CID 112810655
1-[3-(cyclopropylmethoxy)propyl]-2-methyl-3-[3-(4-methylphenoxy)propyl]guanidine;hydroiodide
CID 111390854
N-[2-(4-methylphenoxy)ethyl]-2-phenoxyethanamine;hydrochloride
CID 18793114
2-(2-cyclopropylethyl)-1-ethyl-3-[2-(4-methylphenoxy)ethyl]guanidine
CID 111604669
N-(cyclopropylmethyl)-2-(2-phenoxyethoxy)ethanamine
CID 55088293
2-(6-bromonaphthalen-2-yl)oxy-N-(cyclopropylmethyl)ethanamine
CID 62570775

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-[4-(4-methylphenyl)phenoxy]ethanamine?
The IUPAC name of N-(cyclopropylmethyl)-2-[4-(4-methylphenyl)phenoxy]ethanamine (CID 62599303) is N-(cyclopropylmethyl)-2-[4-(4-methylphenyl)phenoxy]ethanamine.
What is the SMILES notation for N-(cyclopropylmethyl)-2-[4-(4-methylphenyl)phenoxy]ethanamine?
The canonical SMILES for N-(cyclopropylmethyl)-2-[4-(4-methylphenyl)phenoxy]ethanamine is Cc1ccc(-c2ccc(OCCNCC3CC3)cc2)cc1.
What is the InChIKey of N-(cyclopropylmethyl)-2-[4-(4-methylphenyl)phenoxy]ethanamine?
The InChIKey is UCJFTAOUAAVIRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO/c1-15-2-6-17(7-3-15)18-8-10-19(11-9-18)21-13-12-20-14-16-4-5-16/h2-3,6-11,16,20H,4-5,12-14H2,1H3.
What are the key properties of N-(cyclopropylmethyl)-2-[4-(4-methylphenyl)phenoxy]ethanamine?
N-(cyclopropylmethyl)-2-[4-(4-methylphenyl)phenoxy]ethanamine has a molecular weight of 281.40 g/mol, XLogP of 4.04, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-[4-(4-methylphenyl)phenoxy]ethanamine is sourced from PubChem (CID 62599303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).