N-(cyclopropylmethyl)-2-(4-propylphenoxy)ethanamine

C15H23NO — CID 62583832

IUPACN-(cyclopropylmethyl)-2-(4-propylphenoxy)ethanamine
SMILESCCCc1ccc(OCCNCC2CC2)cc1
InChIInChI=1S/C15H23NO/c1-2-3-13-6-8-15(9-7-13)17-11-10-16-12-14-4-5-14/h6-9,14,16H,2-5,10-12H2,1H3
InChIKeyRLMFBBBOXNAPQW-UHFFFAOYSA-N
MW233.35 g/mol
LogP3.02
Rot. Bonds8

About N-(cyclopropylmethyl)-2-(4-propylphenoxy)ethanamine

N-(cyclopropylmethyl)-2-(4-propylphenoxy)ethanamine (PubChem CID 62583832) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-(4-propylphenoxy)ethanamine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-(4-propylphenoxy)ethanamine
PubChem CID62583832
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC NameN-(cyclopropylmethyl)-2-(4-propylphenoxy)ethanamine
SMILESCCCc1ccc(OCCNCC2CC2)cc1
InChIInChI=1S/C15H23NO/c1-2-3-13-6-8-15(9-7-13)17-11-10-16-12-14-4-5-14/h6-9,14,16H,2-5,10-12H2,1H3
InChIKeyRLMFBBBOXNAPQW-UHFFFAOYSA-N
XLogP3.02
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 53.02
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

N-[2-(4-propylphenoxy)ethyl]propan-1-amine
CID 62548210
2-butoxy-N-[2-(4-propylphenoxy)ethyl]ethanamine
CID 62582718
N-[2-(4-propylphenoxy)ethyl]pentan-1-amine
CID 63515764
N-(cyclopropylmethyl)-2-[4-(4-methylphenyl)phenoxy]ethanamine
CID 62599303
2-(4-butan-2-ylphenoxy)-N-(cyclopropylmethyl)ethanamine
CID 107668609
N-ethyl-5-(4-propylphenoxy)pentan-1-amine
CID 62548075
1-propoxy-4-[2-(4-propylcyclohexyl)ethyl]benzene
CID 15641416
4-fluoro-N-[2-(4-propylphenoxy)ethyl]piperidine-1-carboxamide
CID 122566406
1-methyl-3-[2-(4-propylphenoxy)ethyl]urea
CID 70468541
2-(4-tert-butylphenoxy)-N-(cyclohexylmethyl)ethanamine
CID 60664263
N-[2-(4-propylphenoxy)ethyl]butan-2-amine
CID 62584206
N-ethyl-2-(4-ethylphenoxy)ethanamine;hydrochloride
CID 75531601

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-(4-propylphenoxy)ethanamine?
The IUPAC name of N-(cyclopropylmethyl)-2-(4-propylphenoxy)ethanamine (CID 62583832) is N-(cyclopropylmethyl)-2-(4-propylphenoxy)ethanamine.
What is the SMILES notation for N-(cyclopropylmethyl)-2-(4-propylphenoxy)ethanamine?
The canonical SMILES for N-(cyclopropylmethyl)-2-(4-propylphenoxy)ethanamine is CCCc1ccc(OCCNCC2CC2)cc1.
What is the InChIKey of N-(cyclopropylmethyl)-2-(4-propylphenoxy)ethanamine?
The InChIKey is RLMFBBBOXNAPQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-2-3-13-6-8-15(9-7-13)17-11-10-16-12-14-4-5-14/h6-9,14,16H,2-5,10-12H2,1H3.
What are the key properties of N-(cyclopropylmethyl)-2-(4-propylphenoxy)ethanamine?
N-(cyclopropylmethyl)-2-(4-propylphenoxy)ethanamine has a molecular weight of 233.35 g/mol, XLogP of 3.02, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-(4-propylphenoxy)ethanamine is sourced from PubChem (CID 62583832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).