1-(3,5-dimethylphenyl)-N-(2-methylpropoxy)ethanamine

C14H23NO — CID 82708974

IUPAC1-(3,5-dimethylphenyl)-N-(2-methylpropoxy)ethanamine
SMILESCc1cc(C)cc(C(C)NOCC(C)C)c1
InChIInChI=1S/C14H23NO/c1-10(2)9-16-15-13(5)14-7-11(3)6-12(4)8-14/h6-8,10,13,15H,9H2,1-5H3
InChIKeyKVNMUDRCXYUVLG-UHFFFAOYSA-N
MW221.34 g/mol
LogP3.54
Rot. Bonds5

About 1-(3,5-dimethylphenyl)-N-(2-methylpropoxy)ethanamine

1-(3,5-dimethylphenyl)-N-(2-methylpropoxy)ethanamine (PubChem CID 82708974) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 1-(3,5-dimethylphenyl)-N-(2-methylpropoxy)ethanamine.

Molecular Properties

Compound Name1-(3,5-dimethylphenyl)-N-(2-methylpropoxy)ethanamine
PubChem CID82708974
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name1-(3,5-dimethylphenyl)-N-(2-methylpropoxy)ethanamine
SMILESCc1cc(C)cc(C(C)NOCC(C)C)c1
InChIInChI=1S/C14H23NO/c1-10(2)9-16-15-13(5)14-7-11(3)6-12(4)8-14/h6-8,10,13,15H,9H2,1-5H3
InChIKeyKVNMUDRCXYUVLG-UHFFFAOYSA-N
XLogP3.54
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(4-methylphenyl)-N-(2-methylpropoxy)ethanamine
CID 82710974
N-(2-methylpropoxy)-1-(3,4,5-trimethoxyphenyl)ethanamine
CID 82711410
1-(3-chloro-4-fluorophenyl)-N-(2-methylpropoxy)ethanamine
CID 82710342
1-(2,5-dimethylfuran-3-yl)-N-(2-methylpropoxy)ethanamine
CID 82710440
N-[1-(3,5-dimethylphenyl)ethyl]-1-methoxybutan-2-amine
CID 81344361
N-(2-methylpropoxy)-1-thiophen-2-ylethanamine
CID 82709088
N-(2-methoxyethoxy)-1-(4-methylphenyl)ethanamine
CID 82715665
(2S)-1-[[(1S)-1-(3,5-dimethylphenyl)ethyl]amino]propan-2-ol
CID 97357890
1-(2,5-dimethylphenyl)-N-(2-methylpropoxy)-1-phenylmethanamine
CID 82710589
1-(4-methylphenyl)-N-(2,2,2-trifluoroethoxy)ethanamine
CID 82710680
N-[1-(3,5-dimethylphenyl)ethyl]-3-ethoxycyclobutan-1-amine
CID 103917481
4-[1-(2-methylpropoxyamino)propyl]phenol
CID 82710260

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylphenyl)-N-(2-methylpropoxy)ethanamine?
The IUPAC name of 1-(3,5-dimethylphenyl)-N-(2-methylpropoxy)ethanamine (CID 82708974) is 1-(3,5-dimethylphenyl)-N-(2-methylpropoxy)ethanamine.
What is the SMILES notation for 1-(3,5-dimethylphenyl)-N-(2-methylpropoxy)ethanamine?
The canonical SMILES for 1-(3,5-dimethylphenyl)-N-(2-methylpropoxy)ethanamine is Cc1cc(C)cc(C(C)NOCC(C)C)c1.
What is the InChIKey of 1-(3,5-dimethylphenyl)-N-(2-methylpropoxy)ethanamine?
The InChIKey is KVNMUDRCXYUVLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-10(2)9-16-15-13(5)14-7-11(3)6-12(4)8-14/h6-8,10,13,15H,9H2,1-5H3.
What are the key properties of 1-(3,5-dimethylphenyl)-N-(2-methylpropoxy)ethanamine?
1-(3,5-dimethylphenyl)-N-(2-methylpropoxy)ethanamine has a molecular weight of 221.34 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylphenyl)-N-(2-methylpropoxy)ethanamine is sourced from PubChem (CID 82708974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).