2-(ethoxymethyl)-3-(2-methylphenyl)propan-1-amine

C13H21NO — CID 103984194

IUPAC2-(ethoxymethyl)-3-(2-methylphenyl)propan-1-amine
SMILESCCOCC(CN)Cc1ccccc1C
InChIInChI=1S/C13H21NO/c1-3-15-10-12(9-14)8-13-7-5-4-6-11(13)2/h4-7,12H,3,8-10,14H2,1-2H3
InChIKeyPUINTTLYVQYSSA-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.15
Rot. Bonds6

About 2-(ethoxymethyl)-3-(2-methylphenyl)propan-1-amine

2-(ethoxymethyl)-3-(2-methylphenyl)propan-1-amine (PubChem CID 103984194) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 2-(ethoxymethyl)-3-(2-methylphenyl)propan-1-amine.

Molecular Properties

Compound Name2-(ethoxymethyl)-3-(2-methylphenyl)propan-1-amine
PubChem CID103984194
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name2-(ethoxymethyl)-3-(2-methylphenyl)propan-1-amine
SMILESCCOCC(CN)Cc1ccccc1C
InChIInChI=1S/C13H21NO/c1-3-15-10-12(9-14)8-13-7-5-4-6-11(13)2/h4-7,12H,3,8-10,14H2,1-2H3
InChIKeyPUINTTLYVQYSSA-UHFFFAOYSA-N
XLogP2.15
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(cyclopropylmethoxymethyl)-3-(2-methylphenyl)propan-1-amine
CID 106930572
2-(ethoxymethyl)-N-(2-methoxyethyl)-3-(2-methylphenyl)propan-1-amine
CID 103984660
2-[(4-ethylphenyl)methyl]-3-(2-methylphenyl)propan-1-amine
CID 63496886
3-(4-methylphenyl)-2-[(2-methylphenyl)methyl]propan-1-amine
CID 62504004
2-(ethoxymethyl)-3-(4-fluorophenyl)propan-1-amine
CID 103984184
2-[(3-methoxyphenyl)methyl]-3-(2-methylphenyl)propan-1-amine
CID 62529007
2-[(2,3-dichlorophenyl)methyl]-3-(2-methylphenyl)propan-1-amine
CID 107309626
5-ethylsulfonyl-2-[(2-methylphenyl)methyl]pentan-1-amine
CID 65096858
1-[2-(bromomethyl)-5-ethoxypentyl]-2-methylbenzene
CID 66041741
4-(aminomethyl)-5-(2-methylphenyl)pentanoic acid
CID 112517831
2-[(3-fluorophenyl)methyl]-3-(2-methylphenyl)propan-1-amine
CID 62530380
2-[(3-chloro-2-fluorophenyl)methyl]-3-(2-methylphenyl)propan-1-amine
CID 102858638

Frequently Asked Questions

What is the IUPAC name of 2-(ethoxymethyl)-3-(2-methylphenyl)propan-1-amine?
The IUPAC name of 2-(ethoxymethyl)-3-(2-methylphenyl)propan-1-amine (CID 103984194) is 2-(ethoxymethyl)-3-(2-methylphenyl)propan-1-amine.
What is the SMILES notation for 2-(ethoxymethyl)-3-(2-methylphenyl)propan-1-amine?
The canonical SMILES for 2-(ethoxymethyl)-3-(2-methylphenyl)propan-1-amine is CCOCC(CN)Cc1ccccc1C.
What is the InChIKey of 2-(ethoxymethyl)-3-(2-methylphenyl)propan-1-amine?
The InChIKey is PUINTTLYVQYSSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-3-15-10-12(9-14)8-13-7-5-4-6-11(13)2/h4-7,12H,3,8-10,14H2,1-2H3.
What are the key properties of 2-(ethoxymethyl)-3-(2-methylphenyl)propan-1-amine?
2-(ethoxymethyl)-3-(2-methylphenyl)propan-1-amine has a molecular weight of 207.32 g/mol, XLogP of 2.15, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethoxymethyl)-3-(2-methylphenyl)propan-1-amine is sourced from PubChem (CID 103984194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).