N-[2-(3,5-dimethoxyphenyl)ethyl]-2-methylpropan-1-amine

C14H23NO2 — CID 64867284

IUPACN-[2-(3,5-dimethoxyphenyl)ethyl]-2-methylpropan-1-amine
SMILESCOc1cc(CCNCC(C)C)cc(OC)c1
InChIInChI=1S/C14H23NO2/c1-11(2)10-15-6-5-12-7-13(16-3)9-14(8-12)17-4/h7-9,11,15H,5-6,10H2,1-4H3
InChIKeyNORWZPFFGMAAAJ-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.49
Rot. Bonds7

About N-[2-(3,5-dimethoxyphenyl)ethyl]-2-methylpropan-1-amine

N-[2-(3,5-dimethoxyphenyl)ethyl]-2-methylpropan-1-amine (PubChem CID 64867284) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is N-[2-(3,5-dimethoxyphenyl)ethyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[2-(3,5-dimethoxyphenyl)ethyl]-2-methylpropan-1-amine
PubChem CID64867284
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC NameN-[2-(3,5-dimethoxyphenyl)ethyl]-2-methylpropan-1-amine
SMILESCOc1cc(CCNCC(C)C)cc(OC)c1
InChIInChI=1S/C14H23NO2/c1-11(2)10-15-6-5-12-7-13(16-3)9-14(8-12)17-4/h7-9,11,15H,5-6,10H2,1-4H3
InChIKeyNORWZPFFGMAAAJ-UHFFFAOYSA-N
XLogP2.49
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(3,5-dimethoxyphenyl)ethyl]propan-1-amine
CID 64865776
1-[2-(3,5-dimethoxyphenyl)ethyl]-3,5-dimethoxybenzene
CID 4670736
N-[(3,5-dimethoxyphenyl)methyl]-2-thiophen-3-ylethanamine
CID 60752325
N-[2-(7-methoxy-1,3-benzodioxol-5-yl)ethyl]-2-methylpropan-1-amine
CID 113480979
2-methyl-N-[2-(5-methylthiophen-3-yl)ethyl]propan-1-amine
CID 65104535
6-(4-methoxy-3,5-dimethylphenyl)-N-(2-methylpropyl)hexan-1-amine
CID 83048538
2-methyl-N-[2-(4-methylphenyl)ethyl]propan-1-amine
CID 60983758
N-[2-(3-methoxyphenyl)ethyl]-2-(2-methylpropylamino)acetamide
CID 108993195
2-methyl-N-[2-(3-propylphenyl)ethyl]propan-1-amine
CID 116545559
3-[2-(3-methoxyphenyl)ethylamino]-2-methylpropanamide
CID 107852085
1-(2-bromoethyl)-3,5-dimethoxybenzene
CID 12560827
1,3-dimethoxy-5-(2-nitrosoethyl)benzene
CID 132967337

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethoxyphenyl)ethyl]-2-methylpropan-1-amine?
The IUPAC name of N-[2-(3,5-dimethoxyphenyl)ethyl]-2-methylpropan-1-amine (CID 64867284) is N-[2-(3,5-dimethoxyphenyl)ethyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[2-(3,5-dimethoxyphenyl)ethyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[2-(3,5-dimethoxyphenyl)ethyl]-2-methylpropan-1-amine is COc1cc(CCNCC(C)C)cc(OC)c1.
What is the InChIKey of N-[2-(3,5-dimethoxyphenyl)ethyl]-2-methylpropan-1-amine?
The InChIKey is NORWZPFFGMAAAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-11(2)10-15-6-5-12-7-13(16-3)9-14(8-12)17-4/h7-9,11,15H,5-6,10H2,1-4H3.
What are the key properties of N-[2-(3,5-dimethoxyphenyl)ethyl]-2-methylpropan-1-amine?
N-[2-(3,5-dimethoxyphenyl)ethyl]-2-methylpropan-1-amine has a molecular weight of 237.34 g/mol, XLogP of 2.49, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethoxyphenyl)ethyl]-2-methylpropan-1-amine is sourced from PubChem (CID 64867284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).