N-ethyl-3-(2-methoxy-3,5-dimethylphenyl)propan-1-amine

C14H23NO — CID 98014326

IUPACN-ethyl-3-(2-methoxy-3,5-dimethylphenyl)propan-1-amine
SMILESCCNCCCc1cc(C)cc(C)c1OC
InChIInChI=1S/C14H23NO/c1-5-15-8-6-7-13-10-11(2)9-12(3)14(13)16-4/h9-10,15H,5-8H2,1-4H3
InChIKeyFCBABSZFCYWCRM-UHFFFAOYSA-N
MW221.34 g/mol
LogP2.85
Rot. Bonds6

About N-ethyl-3-(2-methoxy-3,5-dimethylphenyl)propan-1-amine

N-ethyl-3-(2-methoxy-3,5-dimethylphenyl)propan-1-amine (PubChem CID 98014326) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is N-ethyl-3-(2-methoxy-3,5-dimethylphenyl)propan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-(2-methoxy-3,5-dimethylphenyl)propan-1-amine
PubChem CID98014326
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC NameN-ethyl-3-(2-methoxy-3,5-dimethylphenyl)propan-1-amine
SMILESCCNCCCc1cc(C)cc(C)c1OC
InChIInChI=1S/C14H23NO/c1-5-15-8-6-7-13-10-11(2)9-12(3)14(13)16-4/h9-10,15H,5-8H2,1-4H3
InChIKeyFCBABSZFCYWCRM-UHFFFAOYSA-N
XLogP2.85
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 52.85
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'-[2-(2-methoxy-3,5-dimethylphenyl)ethyl]-N-methylbutane-1,4-diamine
CID 115202127
N'-[2-(2-methoxy-3,5-dimethylphenyl)ethyl]ethane-1,2-diamine
CID 115195427
ethane;N-[(2-methoxy-3,5-dimethylphenyl)methyl]ethanamine;propane
CID 176965315
4-(2-methoxy-3,5-dimethylphenyl)butan-1-amine
CID 82255348
N-(2-chloroethyl)-2-(2-methoxy-3,5-dimethylphenyl)ethanamine
CID 115215064
ethane;1-ethyl-2-methoxy-3,5-dimethylbenzene
CID 169219679
2-[2-(2-methoxy-3,5-dimethylphenyl)ethylamino]acetic acid
CID 112518242
3-N-[2-(2-methoxy-3,5-dimethylphenyl)ethyl]propane-1,2,3-triamine
CID 115119990
1-but-3-ynyl-2-methoxy-3,5-dimethylbenzene
CID 83941962
2-[2-(2-methoxy-3,5-dimethylphenyl)ethylamino]-2-oxoacetic acid
CID 115141461
N-[3-(5-chloro-2-methoxy-3-methylphenyl)propyl]-2-methylpropan-2-amine
CID 98033387
4-hydroxy-N-[2-(2-methoxy-3,5-dimethylphenyl)ethyl]butanamide
CID 115163102

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(2-methoxy-3,5-dimethylphenyl)propan-1-amine?
The IUPAC name of N-ethyl-3-(2-methoxy-3,5-dimethylphenyl)propan-1-amine (CID 98014326) is N-ethyl-3-(2-methoxy-3,5-dimethylphenyl)propan-1-amine.
What is the SMILES notation for N-ethyl-3-(2-methoxy-3,5-dimethylphenyl)propan-1-amine?
The canonical SMILES for N-ethyl-3-(2-methoxy-3,5-dimethylphenyl)propan-1-amine is CCNCCCc1cc(C)cc(C)c1OC.
What is the InChIKey of N-ethyl-3-(2-methoxy-3,5-dimethylphenyl)propan-1-amine?
The InChIKey is FCBABSZFCYWCRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-5-15-8-6-7-13-10-11(2)9-12(3)14(13)16-4/h9-10,15H,5-8H2,1-4H3.
What are the key properties of N-ethyl-3-(2-methoxy-3,5-dimethylphenyl)propan-1-amine?
N-ethyl-3-(2-methoxy-3,5-dimethylphenyl)propan-1-amine has a molecular weight of 221.34 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(2-methoxy-3,5-dimethylphenyl)propan-1-amine is sourced from PubChem (CID 98014326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).