N-[2-[2-(ethoxymethyl)phenyl]ethyl]propan-2-amine

C14H23NO — CID 115464510

IUPACN-[2-[2-(ethoxymethyl)phenyl]ethyl]propan-2-amine
SMILESCCOCc1ccccc1CCNC(C)C
InChIInChI=1S/C14H23NO/c1-4-16-11-14-8-6-5-7-13(14)9-10-15-12(2)3/h5-8,12,15H,4,9-11H2,1-3H3
InChIKeyHLDDWMPXXSUMPS-UHFFFAOYSA-N
MW221.34 g/mol
LogP2.76
Rot. Bonds7

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

N-[2-[2-(ethoxymethyl)phenyl]ethyl]propan-2-amine (PubChem CID 115464510) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is N-[2-[2-(ethoxymethyl)phenyl]ethyl]propan-2-amine.

Molecular Properties

Compound NameN-[2-[2-(ethoxymethyl)phenyl]ethyl]propan-2-amine
PubChem CID115464510
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC NameN-[2-[2-(ethoxymethyl)phenyl]ethyl]propan-2-amine
SMILESCCOCc1ccccc1CCNC(C)C
InChIInChI=1S/C14H23NO/c1-4-16-11-14-8-6-5-7-13(14)9-10-15-12(2)3/h5-8,12,15H,4,9-11H2,1-3H3
InChIKeyHLDDWMPXXSUMPS-UHFFFAOYSA-N
XLogP2.76
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[2-(2-propoxyethoxymethyl)phenyl]ethyl]propan-2-amine
CID 115465016
N-[2-[2-(2-methylpentoxymethyl)phenyl]ethyl]propan-2-amine
CID 103285683
N-[[2-(2-ethoxyethoxymethyl)phenyl]methyl]propan-2-amine
CID 62444314
N-[[2-(ethoxymethyl)phenyl]methyl]-2,6-dimethylheptan-4-amine
CID 63448148
N-[2-[2-[(5-methyl-1H-pyrazol-3-yl)oxymethyl]phenyl]ethyl]propan-2-amine
CID 115465138
2-[2-(2-ethoxyethoxymethyl)phenyl]-N-ethylethanamine
CID 113314824
N-[2-[2-[(2-methylcyclohexyl)oxymethyl]phenyl]ethyl]propan-2-amine
CID 115464540
N-[2-(2-phenylphenyl)ethyl]propan-2-amine
CID 144862405
N-methyl-N-[[2-[2-(propan-2-ylamino)ethyl]phenyl]methyl]pentan-2-amine
CID 115463756
N-[2-(ethoxymethyl)phenyl]-2-methoxypropanamide
CID 112686280
N-[2-[2-(difluoromethoxy)phenyl]ethyl]propan-2-amine
CID 64866201
N,3-dimethyl-N-[[2-[2-(propan-2-ylamino)ethyl]phenyl]methyl]butan-2-amine
CID 115463726

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(ethoxymethyl)phenyl]ethyl]propan-2-amine?
The IUPAC name of N-[2-[2-(ethoxymethyl)phenyl]ethyl]propan-2-amine (CID 115464510) is N-[2-[2-(ethoxymethyl)phenyl]ethyl]propan-2-amine.
What is the SMILES notation for N-[2-[2-(ethoxymethyl)phenyl]ethyl]propan-2-amine?
The canonical SMILES for N-[2-[2-(ethoxymethyl)phenyl]ethyl]propan-2-amine is CCOCc1ccccc1CCNC(C)C.
What is the InChIKey of N-[2-[2-(ethoxymethyl)phenyl]ethyl]propan-2-amine?
The InChIKey is HLDDWMPXXSUMPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-4-16-11-14-8-6-5-7-13(14)9-10-15-12(2)3/h5-8,12,15H,4,9-11H2,1-3H3.
What are the key properties of N-[2-[2-(ethoxymethyl)phenyl]ethyl]propan-2-amine?
N-[2-[2-(ethoxymethyl)phenyl]ethyl]propan-2-amine has a molecular weight of 221.34 g/mol, XLogP of 2.76, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(ethoxymethyl)phenyl]ethyl]propan-2-amine is sourced from PubChem (CID 115464510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).