1-(2,5-dimethylphenyl)-N-(2-methylpropoxy)-1-phenylmethanamine

C19H25NO — CID 82710589

IUPAC1-(2,5-dimethylphenyl)-N-(2-methylpropoxy)-1-phenylmethanamine
SMILESCc1ccc(C)c(C(NOCC(C)C)c2ccccc2)c1
InChIInChI=1S/C19H25NO/c1-14(2)13-21-20-19(17-8-6-5-7-9-17)18-12-15(3)10-11-16(18)4/h5-12,14,19-20H,13H2,1-4H3
InChIKeyYMFBECGAHIVVKX-UHFFFAOYSA-N
MW283.41 g/mol
LogP4.57
Rot. Bonds6

About 1-(2,5-dimethylphenyl)-N-(2-methylpropoxy)-1-phenylmethanamine

1-(2,5-dimethylphenyl)-N-(2-methylpropoxy)-1-phenylmethanamine (PubChem CID 82710589) has the molecular formula C19H25NO and a molecular weight of 283.41 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-N-(2-methylpropoxy)-1-phenylmethanamine.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-N-(2-methylpropoxy)-1-phenylmethanamine
PubChem CID82710589
Molecular FormulaC19H25NO
Molecular Weight283.41 g/mol
Exact Mass283.19
IUPAC Name1-(2,5-dimethylphenyl)-N-(2-methylpropoxy)-1-phenylmethanamine
SMILESCc1ccc(C)c(C(NOCC(C)C)c2ccccc2)c1
InChIInChI=1S/C19H25NO/c1-14(2)13-21-20-19(17-8-6-5-7-9-17)18-12-15(3)10-11-16(18)4/h5-12,14,19-20H,13H2,1-4H3
InChIKeyYMFBECGAHIVVKX-UHFFFAOYSA-N
XLogP4.57
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.41
LogP ≤ 54.57
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

2-[[(2,5-dimethylphenyl)-phenylmethyl]amino]ethanol
CID 43151186
2-[[(2,5-dimethylphenyl)-phenylmethyl]amino]acetic acid
CID 43135171
3-[[(2,5-dimethylphenyl)-phenylmethyl]amino]propanoic acid
CID 43322308
2-(2-chloro-1-phenylethyl)-1,4-dimethylbenzene
CID 66436960
(2R)-N-[(S)-(2,5-dimethylphenyl)-phenylmethyl]-2-phenoxybutanamide
CID 7366385
1-(2,5-dimethylphenyl)-N-ethyl-1-phenylpropan-2-amine
CID 66437881
1-(4-methylphenyl)-N-(2-methylpropoxy)ethanamine
CID 82710974
1-(2,5-dimethylphenyl)-1-(3-methoxyphenyl)-N-methylmethanamine
CID 43483809
N-[(2,5-dimethylphenyl)-phenylmethyl]thiolan-3-amine
CID 103779604
2-[[(2-methylphenyl)-phenylmethyl]amino]oxyacetamide
CID 115992033
N-[1-(2,5-dimethylphenyl)ethyl]-1-phenylbutan-1-amine
CID 43720303
N-[2-(2,5-dimethylphenyl)-2-phenylethyl]propan-1-amine
CID 66438254

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-N-(2-methylpropoxy)-1-phenylmethanamine?
The IUPAC name of 1-(2,5-dimethylphenyl)-N-(2-methylpropoxy)-1-phenylmethanamine (CID 82710589) is 1-(2,5-dimethylphenyl)-N-(2-methylpropoxy)-1-phenylmethanamine.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-N-(2-methylpropoxy)-1-phenylmethanamine?
The canonical SMILES for 1-(2,5-dimethylphenyl)-N-(2-methylpropoxy)-1-phenylmethanamine is Cc1ccc(C)c(C(NOCC(C)C)c2ccccc2)c1.
What is the InChIKey of 1-(2,5-dimethylphenyl)-N-(2-methylpropoxy)-1-phenylmethanamine?
The InChIKey is YMFBECGAHIVVKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO/c1-14(2)13-21-20-19(17-8-6-5-7-9-17)18-12-15(3)10-11-16(18)4/h5-12,14,19-20H,13H2,1-4H3.
What are the key properties of 1-(2,5-dimethylphenyl)-N-(2-methylpropoxy)-1-phenylmethanamine?
1-(2,5-dimethylphenyl)-N-(2-methylpropoxy)-1-phenylmethanamine has a molecular weight of 283.41 g/mol, XLogP of 4.57, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)-N-(2-methylpropoxy)-1-phenylmethanamine is sourced from PubChem (CID 82710589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).