1-(4-methylphenyl)-N-(2-methylpropoxy)ethanamine

C13H21NO — CID 82710974

IUPAC1-(4-methylphenyl)-N-(2-methylpropoxy)ethanamine
SMILESCc1ccc(C(C)NOCC(C)C)cc1
InChIInChI=1S/C13H21NO/c1-10(2)9-15-14-12(4)13-7-5-11(3)6-8-13/h5-8,10,12,14H,9H2,1-4H3
InChIKeyOTCZFLSYIWWHGJ-UHFFFAOYSA-N
MW207.32 g/mol
LogP3.23
Rot. Bonds5

About 1-(4-methylphenyl)-N-(2-methylpropoxy)ethanamine

1-(4-methylphenyl)-N-(2-methylpropoxy)ethanamine (PubChem CID 82710974) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 1-(4-methylphenyl)-N-(2-methylpropoxy)ethanamine.

Molecular Properties

Compound Name1-(4-methylphenyl)-N-(2-methylpropoxy)ethanamine
PubChem CID82710974
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name1-(4-methylphenyl)-N-(2-methylpropoxy)ethanamine
SMILESCc1ccc(C(C)NOCC(C)C)cc1
InChIInChI=1S/C13H21NO/c1-10(2)9-15-14-12(4)13-7-5-11(3)6-8-13/h5-8,10,12,14H,9H2,1-4H3
InChIKeyOTCZFLSYIWWHGJ-UHFFFAOYSA-N
XLogP3.23
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 53.23
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-(3,5-dimethylphenyl)-N-(2-methylpropoxy)ethanamine
CID 82708974
N-(2-methoxyethoxy)-1-(4-methylphenyl)ethanamine
CID 82715665
1-(4-methylphenyl)-N-(2,2,2-trifluoroethoxy)ethanamine
CID 82710680
N-(2-methylpropoxy)-1-(4-propoxyphenyl)ethanamine
CID 82710446
1-[[(1S)-1-(4-methylphenyl)ethyl]amino]-3-(2-methylpropoxy)propan-2-ol
CID 81355468
5-methyl-N-[1-(4-methylphenyl)ethyl]hexan-1-amine
CID 115325063
N-(2-methylpropoxy)-1-thiophen-2-ylethanamine
CID 82709088
N-(4-methylphenyl)-N'-(2-methylpropoxy)oxamide
CID 113304269
4-[1-(ethoxyamino)ethyl]phenol
CID 82709636
1-(2,5-dimethylphenyl)-N-(2-methylpropoxy)-1-phenylmethanamine
CID 82710589
(1S)-N-(2-methoxyethyl)-1-(4-methylphenyl)ethanamine
CID 26601188
4-methyl-N-[1-(4-propan-2-ylphenyl)ethyl]aniline
CID 43093665

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-N-(2-methylpropoxy)ethanamine?
The IUPAC name of 1-(4-methylphenyl)-N-(2-methylpropoxy)ethanamine (CID 82710974) is 1-(4-methylphenyl)-N-(2-methylpropoxy)ethanamine.
What is the SMILES notation for 1-(4-methylphenyl)-N-(2-methylpropoxy)ethanamine?
The canonical SMILES for 1-(4-methylphenyl)-N-(2-methylpropoxy)ethanamine is Cc1ccc(C(C)NOCC(C)C)cc1.
What is the InChIKey of 1-(4-methylphenyl)-N-(2-methylpropoxy)ethanamine?
The InChIKey is OTCZFLSYIWWHGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-10(2)9-15-14-12(4)13-7-5-11(3)6-8-13/h5-8,10,12,14H,9H2,1-4H3.
What are the key properties of 1-(4-methylphenyl)-N-(2-methylpropoxy)ethanamine?
1-(4-methylphenyl)-N-(2-methylpropoxy)ethanamine has a molecular weight of 207.32 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-N-(2-methylpropoxy)ethanamine is sourced from PubChem (CID 82710974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).