1-amino-5-(4-methoxy-N-methylanilino)-2-methylpentan-2-ol

C14H24N2O2 — CID 64821862

IUPAC1-amino-5-(4-methoxy-N-methylanilino)-2-methylpentan-2-ol
SMILESCOc1ccc(N(C)CCCC(C)(O)CN)cc1
InChIInChI=1S/C14H24N2O2/c1-14(17,11-15)9-4-10-16(2)12-5-7-13(18-3)8-6-12/h5-8,17H,4,9-11,15H2,1-3H3
InChIKeyNNDZJRMFBRIVKM-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.62
Rot. Bonds7

About 1-amino-5-(4-methoxy-N-methylanilino)-2-methylpentan-2-ol

1-amino-5-(4-methoxy-N-methylanilino)-2-methylpentan-2-ol (PubChem CID 64821862) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 1-amino-5-(4-methoxy-N-methylanilino)-2-methylpentan-2-ol.

Molecular Properties

Compound Name1-amino-5-(4-methoxy-N-methylanilino)-2-methylpentan-2-ol
PubChem CID64821862
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name1-amino-5-(4-methoxy-N-methylanilino)-2-methylpentan-2-ol
SMILESCOc1ccc(N(C)CCCC(C)(O)CN)cc1
InChIInChI=1S/C14H24N2O2/c1-14(17,11-15)9-4-10-16(2)12-5-7-13(18-3)8-6-12/h5-8,17H,4,9-11,15H2,1-3H3
InChIKeyNNDZJRMFBRIVKM-UHFFFAOYSA-N
XLogP1.62
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

1-(4-Methoxyphenyl)piperazine
CID 269722
N-Benzyl-4-methoxyaniline
CID 519413
4-methoxy-N-(1-phenylethyl)aniline
CID 3849761
(4-Methoxyphenyl)-[2-(p-anisidino)ethyl]amine
CID 1809552
1-Methoxy-2-amino-4-(2-hydroxyethylamino)benzene
CID 3019283
N-Methyl-4-anisidine
CID 22250
N-(4-Methoxyphenyl)formamide
CID 79616
4-Methoxy-N,N-dimethylbenzenamine
CID 69700
1-(4-Methoxyphenyl)-4-propylpiperazine
CID 12854846
Pyrrolidine, 1-(4-methoxyphenyl)-
CID 143187
2-(((4-Methoxyphenyl)amino)methyl)phenol
CID 269972
N-Allyl-P-anisidine,tech.
CID 294496

Frequently Asked Questions

What is the IUPAC name of 1-amino-5-(4-methoxy-N-methylanilino)-2-methylpentan-2-ol?
The IUPAC name of 1-amino-5-(4-methoxy-N-methylanilino)-2-methylpentan-2-ol (CID 64821862) is 1-amino-5-(4-methoxy-N-methylanilino)-2-methylpentan-2-ol.
What is the SMILES notation for 1-amino-5-(4-methoxy-N-methylanilino)-2-methylpentan-2-ol?
The canonical SMILES for 1-amino-5-(4-methoxy-N-methylanilino)-2-methylpentan-2-ol is COc1ccc(N(C)CCCC(C)(O)CN)cc1.
What is the InChIKey of 1-amino-5-(4-methoxy-N-methylanilino)-2-methylpentan-2-ol?
The InChIKey is NNDZJRMFBRIVKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-14(17,11-15)9-4-10-16(2)12-5-7-13(18-3)8-6-12/h5-8,17H,4,9-11,15H2,1-3H3.
What are the key properties of 1-amino-5-(4-methoxy-N-methylanilino)-2-methylpentan-2-ol?
1-amino-5-(4-methoxy-N-methylanilino)-2-methylpentan-2-ol has a molecular weight of 252.36 g/mol, XLogP of 1.62, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-5-(4-methoxy-N-methylanilino)-2-methylpentan-2-ol is sourced from PubChem (CID 64821862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).