N'-[2-(4-methoxy-2,5-dimethylphenyl)-2-methylpropyl]propane-1,3-diamine

C16H28N2O — CID 115197567

IUPACN'-[2-(4-methoxy-2,5-dimethylphenyl)-2-methylpropyl]propane-1,3-diamine
SMILESCOc1cc(C)c(C(C)(C)CNCCCN)cc1C
InChIInChI=1S/C16H28N2O/c1-12-10-15(19-5)13(2)9-14(12)16(3,4)11-18-8-6-7-17/h9-10,18H,6-8,11,17H2,1-5H3
InChIKeyRTTFMHIQWBTRJG-UHFFFAOYSA-N
MW264.41 g/mol
LogP2.53
Rot. Bonds7

About N'-[2-(4-methoxy-2,5-dimethylphenyl)-2-methylpropyl]propane-1,3-diamine

N'-[2-(4-methoxy-2,5-dimethylphenyl)-2-methylpropyl]propane-1,3-diamine (PubChem CID 115197567) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is N'-[2-(4-methoxy-2,5-dimethylphenyl)-2-methylpropyl]propane-1,3-diamine.

Molecular Properties

Compound NameN'-[2-(4-methoxy-2,5-dimethylphenyl)-2-methylpropyl]propane-1,3-diamine
PubChem CID115197567
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC NameN'-[2-(4-methoxy-2,5-dimethylphenyl)-2-methylpropyl]propane-1,3-diamine
SMILESCOc1cc(C)c(C(C)(C)CNCCCN)cc1C
InChIInChI=1S/C16H28N2O/c1-12-10-15(19-5)13(2)9-14(12)16(3,4)11-18-8-6-7-17/h9-10,18H,6-8,11,17H2,1-5H3
InChIKeyRTTFMHIQWBTRJG-UHFFFAOYSA-N
XLogP2.53
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 52.53
H-Bond Donors ≤ 52
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-chloroethyl)-2-(4-methoxy-2,5-dimethylphenyl)-2-methylpropan-1-amine
CID 115215294
N'-[2-methyl-2-(2,4,5-trimethylphenyl)propyl]ethane-1,2-diamine
CID 115195619
N-(bromomethyl)-2-(4-methoxy-2,5-dimethylphenyl)-2-methylpropan-1-amine
CID 115262540
N'-[2-(2-methoxy-3,5-dimethylphenyl)-2-methylpropyl]propane-1,3-diamine
CID 115197585
N'-[2-(2-methoxyphenyl)-2-methylpropyl]butane-1,4-diamine
CID 115201630
N'-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]propane-1,3-diamine
CID 115197549
N'-[2-methyl-2-(2,4,5-trimethylphenyl)propyl]methanediamine
CID 115226401
N'-[(4-methoxy-2,5-dimethylphenyl)methyl]butane-1,4-diamine
CID 115201196
N-methyl-N'-[2-methyl-2-(2,4,5-trimethylphenyl)propyl]ethane-1,2-diamine
CID 115196189
N-ethyl-N'-[2-methyl-2-(2,4,5-trimethylphenyl)propyl]ethane-1,2-diamine
CID 115206175
N'-[2-(3,4-dimethylphenyl)-2-methylpropyl]butane-1,4-diamine
CID 115201587
N-(3-aminopropyl)-4-methoxy-2,5-dimethylbenzenesulfonamide
CID 28754094

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-methoxy-2,5-dimethylphenyl)-2-methylpropyl]propane-1,3-diamine?
The IUPAC name of N'-[2-(4-methoxy-2,5-dimethylphenyl)-2-methylpropyl]propane-1,3-diamine (CID 115197567) is N'-[2-(4-methoxy-2,5-dimethylphenyl)-2-methylpropyl]propane-1,3-diamine.
What is the SMILES notation for N'-[2-(4-methoxy-2,5-dimethylphenyl)-2-methylpropyl]propane-1,3-diamine?
The canonical SMILES for N'-[2-(4-methoxy-2,5-dimethylphenyl)-2-methylpropyl]propane-1,3-diamine is COc1cc(C)c(C(C)(C)CNCCCN)cc1C.
What is the InChIKey of N'-[2-(4-methoxy-2,5-dimethylphenyl)-2-methylpropyl]propane-1,3-diamine?
The InChIKey is RTTFMHIQWBTRJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-12-10-15(19-5)13(2)9-14(12)16(3,4)11-18-8-6-7-17/h9-10,18H,6-8,11,17H2,1-5H3.
What are the key properties of N'-[2-(4-methoxy-2,5-dimethylphenyl)-2-methylpropyl]propane-1,3-diamine?
N'-[2-(4-methoxy-2,5-dimethylphenyl)-2-methylpropyl]propane-1,3-diamine has a molecular weight of 264.41 g/mol, XLogP of 2.53, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-methoxy-2,5-dimethylphenyl)-2-methylpropyl]propane-1,3-diamine is sourced from PubChem (CID 115197567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).