N-ethyl-2-(3-methyl-4-propan-2-yloxyphenyl)ethanamine

C14H23NO — CID 98783598

IUPACN-ethyl-2-(3-methyl-4-propan-2-yloxyphenyl)ethanamine
SMILESCCNCCc1ccc(OC(C)C)c(C)c1
InChIInChI=1S/C14H23NO/c1-5-15-9-8-13-6-7-14(12(4)10-13)16-11(2)3/h6-7,10-11,15H,5,8-9H2,1-4H3
InChIKeyZGUYHBGGERATLC-UHFFFAOYSA-N
MW221.34 g/mol
LogP2.93
Rot. Bonds6

About N-ethyl-2-(3-methyl-4-propan-2-yloxyphenyl)ethanamine

N-ethyl-2-(3-methyl-4-propan-2-yloxyphenyl)ethanamine (PubChem CID 98783598) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is N-ethyl-2-(3-methyl-4-propan-2-yloxyphenyl)ethanamine.

Molecular Properties

Compound NameN-ethyl-2-(3-methyl-4-propan-2-yloxyphenyl)ethanamine
PubChem CID98783598
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC NameN-ethyl-2-(3-methyl-4-propan-2-yloxyphenyl)ethanamine
SMILESCCNCCc1ccc(OC(C)C)c(C)c1
InChIInChI=1S/C14H23NO/c1-5-15-9-8-13-6-7-14(12(4)10-13)16-11(2)3/h6-7,10-11,15H,5,8-9H2,1-4H3
InChIKeyZGUYHBGGERATLC-UHFFFAOYSA-N
XLogP2.93
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 ≤ 52.93
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

methyl N-[2-(3-methyl-4-propan-2-yloxyphenyl)ethyl]carbamate
CID 110788929
3-(3-methyl-4-propan-2-yloxyphenyl)propan-1-amine
CID 95439952
N-ethyl-3-(4-methoxy-3-methylphenyl)propan-1-amine
CID 98014025
2-(3,4-dimethylphenyl)-N-ethylethanamine;ethane;molecular hydrogen
CID 145215034
3-(3-methyl-4-propan-2-yloxyphenyl)propanoic acid
CID 82051538
N-[2-(ethylamino)ethyl]-3-methyl-4-propan-2-yloxybenzenesulfonamide
CID 62664770
2-[2-(3-methyl-4-propan-2-yloxyphenyl)ethyl]guanidine
CID 112518124
N-ethyl-2-[2-(4-methoxy-3-methylphenyl)ethoxy]ethanamine
CID 65303073
N-ethyl-2-(3-ethyl-4-methylphenyl)ethanamine
CID 139471599
N-(hydrazinylmethyl)-2-(4-methoxy-3-methylphenyl)ethanamine
CID 115261071
2-methyl-4-pentan-3-yl-1-propan-2-yloxybenzene
CID 134400936
N'-[2-(4-ethoxy-3-methylphenyl)ethyl]ethane-1,2-diamine
CID 115195419

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(3-methyl-4-propan-2-yloxyphenyl)ethanamine?
The IUPAC name of N-ethyl-2-(3-methyl-4-propan-2-yloxyphenyl)ethanamine (CID 98783598) is N-ethyl-2-(3-methyl-4-propan-2-yloxyphenyl)ethanamine.
What is the SMILES notation for N-ethyl-2-(3-methyl-4-propan-2-yloxyphenyl)ethanamine?
The canonical SMILES for N-ethyl-2-(3-methyl-4-propan-2-yloxyphenyl)ethanamine is CCNCCc1ccc(OC(C)C)c(C)c1.
What is the InChIKey of N-ethyl-2-(3-methyl-4-propan-2-yloxyphenyl)ethanamine?
The InChIKey is ZGUYHBGGERATLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-5-15-9-8-13-6-7-14(12(4)10-13)16-11(2)3/h6-7,10-11,15H,5,8-9H2,1-4H3.
What are the key properties of N-ethyl-2-(3-methyl-4-propan-2-yloxyphenyl)ethanamine?
N-ethyl-2-(3-methyl-4-propan-2-yloxyphenyl)ethanamine has a molecular weight of 221.34 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(3-methyl-4-propan-2-yloxyphenyl)ethanamine is sourced from PubChem (CID 98783598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).