N-ethyl-2-(methoxymethyl)-3-(4-methylphenyl)propan-1-amine

C14H23NO — CID 103984265

IUPACN-ethyl-2-(methoxymethyl)-3-(4-methylphenyl)propan-1-amine
SMILESCCNCC(COC)Cc1ccc(C)cc1
InChIInChI=1S/C14H23NO/c1-4-15-10-14(11-16-3)9-13-7-5-12(2)6-8-13/h5-8,14-15H,4,9-11H2,1-3H3
InChIKeyMQGUNJMWORBJSH-UHFFFAOYSA-N
MW221.34 g/mol
LogP2.41
Rot. Bonds7

About N-ethyl-2-(methoxymethyl)-3-(4-methylphenyl)propan-1-amine

N-ethyl-2-(methoxymethyl)-3-(4-methylphenyl)propan-1-amine (PubChem CID 103984265) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is N-ethyl-2-(methoxymethyl)-3-(4-methylphenyl)propan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-(methoxymethyl)-3-(4-methylphenyl)propan-1-amine
PubChem CID103984265
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC NameN-ethyl-2-(methoxymethyl)-3-(4-methylphenyl)propan-1-amine
SMILESCCNCC(COC)Cc1ccc(C)cc1
InChIInChI=1S/C14H23NO/c1-4-15-10-14(11-16-3)9-13-7-5-12(2)6-8-13/h5-8,14-15H,4,9-11H2,1-3H3
InChIKeyMQGUNJMWORBJSH-UHFFFAOYSA-N
XLogP2.41
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 ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-benzyl-N-ethyl-3-methoxypropan-1-amine
CID 103984212
N-ethyl-6-methoxy-2-[(4-methylphenyl)methyl]hexan-1-amine
CID 104649192
4-butoxy-N-ethyl-2-[(4-methylphenyl)methyl]butan-1-amine
CID 62515207
N-ethyl-2-[(4-fluorophenyl)methyl]-4-methoxybutan-1-amine
CID 62516080
N-ethyl-4-methyl-2-[(4-methylphenyl)methyl]heptan-1-amine
CID 63522236
2-[(4-chlorophenyl)methyl]-3-methoxy-N-(2-methoxyethyl)propan-1-amine
CID 103984648
2-[(4-chlorophenyl)methyl]-N-ethyl-5-methoxypentan-1-amine
CID 55083300
2-(methoxymethyl)-3-(3-methylphenyl)-N-propylpropan-1-amine
CID 113361832
2-[(3-bromothiophen-2-yl)methyl]-N-ethyl-3-(4-methylphenyl)propan-1-amine
CID 63522590
N-(2-methoxyethyl)-2-[(4-methylphenyl)methyl]-4-propan-2-yloxybutan-1-amine
CID 62719047
N-tert-butyl-4-methoxy-2-[(4-methylphenyl)methyl]butan-1-amine
CID 62514690
N-ethyl-2-[(4-fluorophenyl)methyl]-3-(3-methylphenyl)propan-1-amine
CID 62516253

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(methoxymethyl)-3-(4-methylphenyl)propan-1-amine?
The IUPAC name of N-ethyl-2-(methoxymethyl)-3-(4-methylphenyl)propan-1-amine (CID 103984265) is N-ethyl-2-(methoxymethyl)-3-(4-methylphenyl)propan-1-amine.
What is the SMILES notation for N-ethyl-2-(methoxymethyl)-3-(4-methylphenyl)propan-1-amine?
The canonical SMILES for N-ethyl-2-(methoxymethyl)-3-(4-methylphenyl)propan-1-amine is CCNCC(COC)Cc1ccc(C)cc1.
What is the InChIKey of N-ethyl-2-(methoxymethyl)-3-(4-methylphenyl)propan-1-amine?
The InChIKey is MQGUNJMWORBJSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-4-15-10-14(11-16-3)9-13-7-5-12(2)6-8-13/h5-8,14-15H,4,9-11H2,1-3H3.
What are the key properties of N-ethyl-2-(methoxymethyl)-3-(4-methylphenyl)propan-1-amine?
N-ethyl-2-(methoxymethyl)-3-(4-methylphenyl)propan-1-amine has a molecular weight of 221.34 g/mol, XLogP of 2.41, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(methoxymethyl)-3-(4-methylphenyl)propan-1-amine is sourced from PubChem (CID 103984265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).