N-ethyl-3-(4-methoxy-3-methylphenyl)propan-1-amine

C13H21NO — CID 98014025

IUPACN-ethyl-3-(4-methoxy-3-methylphenyl)propan-1-amine
SMILESCCNCCCc1ccc(OC)c(C)c1
InChIInChI=1S/C13H21NO/c1-4-14-9-5-6-12-7-8-13(15-3)11(2)10-12/h7-8,10,14H,4-6,9H2,1-3H3
InChIKeyXQHPSPSGQCKBOX-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.55
Rot. Bonds6

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

N-ethyl-3-(4-methoxy-3-methylphenyl)propan-1-amine (PubChem CID 98014025) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is N-ethyl-3-(4-methoxy-3-methylphenyl)propan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-(4-methoxy-3-methylphenyl)propan-1-amine
PubChem CID98014025
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC NameN-ethyl-3-(4-methoxy-3-methylphenyl)propan-1-amine
SMILESCCNCCCc1ccc(OC)c(C)c1
InChIInChI=1S/C13H21NO/c1-4-14-9-5-6-12-7-8-13(15-3)11(2)10-12/h7-8,10,14H,4-6,9H2,1-3H3
InChIKeyXQHPSPSGQCKBOX-UHFFFAOYSA-N
XLogP2.55
TPSA21.26 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 ≤ 52.55
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-ethyl-2-[2-(4-methoxy-3-methylphenyl)ethoxy]ethanamine
CID 65303073
N-(2-methoxyethyl)-5-(4-methoxy-3-methylphenyl)pentan-1-amine
CID 65305186
N-tert-butyl-5-(4-methoxy-3-methylphenyl)pentan-1-amine
CID 65305391
4-(3-chloropropyl)-1-methoxy-2-methylbenzene
CID 116926643
N-(2-methoxyethyl)-2-(4-methoxy-3-methylphenyl)ethanamine
CID 64867078
N-(hydrazinylmethyl)-2-(4-methoxy-3-methylphenyl)ethanamine
CID 115261071
N-ethyl-2-(3-methyl-4-propan-2-yloxyphenyl)ethanamine
CID 98783598
ethane;1-methoxy-2-methyl-4-propylbenzene;prop-1-yne
CID 142112207
N-[(4-methoxy-3-methylphenyl)methyl]-3-propoxypropan-1-amine
CID 82942119
N-ethyl-N'-[3-(4-methoxyphenyl)propyl]propane-1,3-diamine
CID 113410167
2-(4-ethoxy-3-methoxyphenyl)-N-ethylethanamine
CID 82643956
5-(4-methoxy-3-methylphenyl)pentanenitrile
CID 96657164

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(4-methoxy-3-methylphenyl)propan-1-amine?
The IUPAC name of N-ethyl-3-(4-methoxy-3-methylphenyl)propan-1-amine (CID 98014025) is N-ethyl-3-(4-methoxy-3-methylphenyl)propan-1-amine.
What is the SMILES notation for N-ethyl-3-(4-methoxy-3-methylphenyl)propan-1-amine?
The canonical SMILES for N-ethyl-3-(4-methoxy-3-methylphenyl)propan-1-amine is CCNCCCc1ccc(OC)c(C)c1.
What is the InChIKey of N-ethyl-3-(4-methoxy-3-methylphenyl)propan-1-amine?
The InChIKey is XQHPSPSGQCKBOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-4-14-9-5-6-12-7-8-13(15-3)11(2)10-12/h7-8,10,14H,4-6,9H2,1-3H3.
What are the key properties of N-ethyl-3-(4-methoxy-3-methylphenyl)propan-1-amine?
N-ethyl-3-(4-methoxy-3-methylphenyl)propan-1-amine has a molecular weight of 207.32 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(4-methoxy-3-methylphenyl)propan-1-amine is sourced from PubChem (CID 98014025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).