4-[5-(4-amino-3-methylphenoxy)pentoxy]-2-methylaniline;dihydrochloride

C19H28Cl2N2O2 — CID 3066379

IUPAC4-[5-(4-amino-3-methylphenoxy)pentoxy]-2-methylaniline;dihydrochloride
SMILESCc1cc(OCCCCCOc2ccc(N)c(C)c2)ccc1N.Cl.Cl
InChIInChI=1S/C19H26N2O2.2ClH/c1-14-12-16(6-8-18(14)20)22-10-4-3-5-11-23-17-7-9-19(21)15(2)13-17;;/h6-9,12-13H,3-5,10-11,20-21H2,1-2H3;2*1H
InChIKeyXOVVUGKXCKXZSV-UHFFFAOYSA-N
MW387.35 g/mol
LogP4.94
Rot. Bonds8

About 4-[5-(4-amino-3-methylphenoxy)pentoxy]-2-methylaniline;dihydrochloride

4-[5-(4-amino-3-methylphenoxy)pentoxy]-2-methylaniline;dihydrochloride (PubChem CID 3066379) has the molecular formula C19H28Cl2N2O2 and a molecular weight of 387.35 g/mol. Its IUPAC name is 4-[5-(4-amino-3-methylphenoxy)pentoxy]-2-methylaniline;dihydrochloride.

Molecular Properties

Compound Name4-[5-(4-amino-3-methylphenoxy)pentoxy]-2-methylaniline;dihydrochloride
PubChem CID3066379
Molecular FormulaC19H28Cl2N2O2
Molecular Weight387.35 g/mol
Exact Mass386.15
IUPAC Name4-[5-(4-amino-3-methylphenoxy)pentoxy]-2-methylaniline;dihydrochloride
SMILESCc1cc(OCCCCCOc2ccc(N)c(C)c2)ccc1N.Cl.Cl
InChIInChI=1S/C19H26N2O2.2ClH/c1-14-12-16(6-8-18(14)20)22-10-4-3-5-11-23-17-7-9-19(21)15(2)13-17;;/h6-9,12-13H,3-5,10-11,20-21H2,1-2H3;2*1H
InChIKeyXOVVUGKXCKXZSV-UHFFFAOYSA-N
XLogP4.94
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.35
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-Benzyloxyaniline
CID 22860
2-Methyl-4-methoxyaniline
CID 7610
Benzenamine, 4-(3-methylphenoxy)-
CID 151352
4-(2-Phenylethoxy)aniline
CID 3026856
3-(Phenoxymethyl)aniline
CID 427435
4-(p-Tolyloxy)aniline
CID 94519
(E)-4-(3,5-Dimethoxystyryl)aniline
CID 18785180
4-(4-Tert-butylphenoxy)aniline
CID 82498
4-[4-(2-Methylbutan-2-yl)phenoxy]aniline
CID 2312594
4-[(4-Iodophenyl)methoxy]aniline
CID 65501638
Aniline, p-(5-phenoxypentyloxy)-
CID 58556
4-Benzyloxyaniline hydrochloride
CID 2723831

Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-amino-3-methylphenoxy)pentoxy]-2-methylaniline;dihydrochloride?
The IUPAC name of 4-[5-(4-amino-3-methylphenoxy)pentoxy]-2-methylaniline;dihydrochloride (CID 3066379) is 4-[5-(4-amino-3-methylphenoxy)pentoxy]-2-methylaniline;dihydrochloride.
What is the SMILES notation for 4-[5-(4-amino-3-methylphenoxy)pentoxy]-2-methylaniline;dihydrochloride?
The canonical SMILES for 4-[5-(4-amino-3-methylphenoxy)pentoxy]-2-methylaniline;dihydrochloride is Cc1cc(OCCCCCOc2ccc(N)c(C)c2)ccc1N.Cl.Cl.
What is the InChIKey of 4-[5-(4-amino-3-methylphenoxy)pentoxy]-2-methylaniline;dihydrochloride?
The InChIKey is XOVVUGKXCKXZSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O2.2ClH/c1-14-12-16(6-8-18(14)20)22-10-4-3-5-11-23-17-7-9-19(21)15(2)13-17;;/h6-9,12-13H,3-5,10-11,20-21H2,1-2H3;2*1H.
What are the key properties of 4-[5-(4-amino-3-methylphenoxy)pentoxy]-2-methylaniline;dihydrochloride?
4-[5-(4-amino-3-methylphenoxy)pentoxy]-2-methylaniline;dihydrochloride has a molecular weight of 387.35 g/mol, XLogP of 4.94, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-amino-3-methylphenoxy)pentoxy]-2-methylaniline;dihydrochloride is sourced from PubChem (CID 3066379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).