2-methyl-N-[2-[2-(2-propan-2-yloxyethoxymethyl)phenyl]ethyl]propan-2-amine

C18H31NO2 — CID 115464581

IUPAC2-methyl-N-[2-[2-(2-propan-2-yloxyethoxymethyl)phenyl]ethyl]propan-2-amine
SMILESCC(C)OCCOCc1ccccc1CCNC(C)(C)C
InChIInChI=1S/C18H31NO2/c1-15(2)21-13-12-20-14-17-9-7-6-8-16(17)10-11-19-18(3,4)5/h6-9,15,19H,10-14H2,1-5H3
InChIKeyDNFZEKGJPBZBDT-UHFFFAOYSA-N
MW293.45 g/mol
LogP3.56
Rot. Bonds9

About 2-methyl-N-[2-[2-(2-propan-2-yloxyethoxymethyl)phenyl]ethyl]propan-2-amine

2-methyl-N-[2-[2-(2-propan-2-yloxyethoxymethyl)phenyl]ethyl]propan-2-amine (PubChem CID 115464581) has the molecular formula C18H31NO2 and a molecular weight of 293.45 g/mol. Its IUPAC name is 2-methyl-N-[2-[2-(2-propan-2-yloxyethoxymethyl)phenyl]ethyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[2-[2-(2-propan-2-yloxyethoxymethyl)phenyl]ethyl]propan-2-amine
PubChem CID115464581
Molecular FormulaC18H31NO2
Molecular Weight293.45 g/mol
Exact Mass293.24
IUPAC Name2-methyl-N-[2-[2-(2-propan-2-yloxyethoxymethyl)phenyl]ethyl]propan-2-amine
SMILESCC(C)OCCOCc1ccccc1CCNC(C)(C)C
InChIInChI=1S/C18H31NO2/c1-15(2)21-13-12-20-14-17-9-7-6-8-16(17)10-11-19-18(3,4)5/h6-9,15,19H,10-14H2,1-5H3
InChIKeyDNFZEKGJPBZBDT-UHFFFAOYSA-N
XLogP3.56
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 53.56
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-[2-[[(E)-but-2-enoxy]methyl]phenyl]ethyl]-2-methylpropan-2-amine
CID 115464424
2-[2-(2-ethoxyethoxymethyl)phenyl]-N-ethylethanamine
CID 113314824
N-[2-[2-(2-propoxyethoxymethyl)phenyl]ethyl]propan-2-amine
CID 115465016
N-[[2-[2-(tert-butylamino)ethyl]phenyl]methyl]-N-methylbutan-2-amine
CID 115463579
N-[2-[2-(cyclopentyloxymethyl)phenyl]ethyl]-2-methylpropan-2-amine
CID 115464481
N-tert-butyl-4-(2-propan-2-yloxyethoxy)butan-1-amine
CID 62457092
2-methyl-N-[[5-methyl-4-(2-propan-2-yloxyethoxymethyl)thiophen-2-yl]methyl]propan-2-amine
CID 80729153
N-ethyl-2-[2-(4-methylpentoxymethyl)phenyl]ethanamine
CID 115464625
2-methyl-N-[2-[5-(2-propan-2-yloxyethoxy)pentoxy]ethyl]propan-2-amine
CID 146520233
N-[2-[2-(propan-2-yloxymethyl)phenyl]ethyl]propan-1-amine
CID 113314833
N-ethyl-2-[2-[(3-methoxy-3-methylbutoxy)methyl]phenyl]ethanamine
CID 106667842
2-(2-propan-2-yloxyethoxymethyl)benzenecarbothioamide
CID 24690783

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-[2-(2-propan-2-yloxyethoxymethyl)phenyl]ethyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[2-[2-(2-propan-2-yloxyethoxymethyl)phenyl]ethyl]propan-2-amine (CID 115464581) is 2-methyl-N-[2-[2-(2-propan-2-yloxyethoxymethyl)phenyl]ethyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[2-[2-(2-propan-2-yloxyethoxymethyl)phenyl]ethyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[2-[2-(2-propan-2-yloxyethoxymethyl)phenyl]ethyl]propan-2-amine is CC(C)OCCOCc1ccccc1CCNC(C)(C)C.
What is the InChIKey of 2-methyl-N-[2-[2-(2-propan-2-yloxyethoxymethyl)phenyl]ethyl]propan-2-amine?
The InChIKey is DNFZEKGJPBZBDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO2/c1-15(2)21-13-12-20-14-17-9-7-6-8-16(17)10-11-19-18(3,4)5/h6-9,15,19H,10-14H2,1-5H3.
What are the key properties of 2-methyl-N-[2-[2-(2-propan-2-yloxyethoxymethyl)phenyl]ethyl]propan-2-amine?
2-methyl-N-[2-[2-(2-propan-2-yloxyethoxymethyl)phenyl]ethyl]propan-2-amine has a molecular weight of 293.45 g/mol, XLogP of 3.56, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-[2-(2-propan-2-yloxyethoxymethyl)phenyl]ethyl]propan-2-amine is sourced from PubChem (CID 115464581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).