N-(4-methoxy-4-methylpentan-2-yl)-4-propoxyaniline

C16H27NO2 — CID 62329167

IUPACN-(4-methoxy-4-methylpentan-2-yl)-4-propoxyaniline
SMILESCCCOc1ccc(NC(C)CC(C)(C)OC)cc1
InChIInChI=1S/C16H27NO2/c1-6-11-19-15-9-7-14(8-10-15)17-13(2)12-16(3,4)18-5/h7-10,13,17H,6,11-12H2,1-5H3
InChIKeyWRYWIXGUFAQPFN-UHFFFAOYSA-N
MW265.40 g/mol
LogP4.09
Rot. Bonds8

About N-(4-methoxy-4-methylpentan-2-yl)-4-propoxyaniline

N-(4-methoxy-4-methylpentan-2-yl)-4-propoxyaniline (PubChem CID 62329167) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is N-(4-methoxy-4-methylpentan-2-yl)-4-propoxyaniline.

Molecular Properties

Compound NameN-(4-methoxy-4-methylpentan-2-yl)-4-propoxyaniline
PubChem CID62329167
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC NameN-(4-methoxy-4-methylpentan-2-yl)-4-propoxyaniline
SMILESCCCOc1ccc(NC(C)CC(C)(C)OC)cc1
InChIInChI=1S/C16H27NO2/c1-6-11-19-15-9-7-14(8-10-15)17-13(2)12-16(3,4)18-5/h7-10,13,17H,6,11-12H2,1-5H3
InChIKeyWRYWIXGUFAQPFN-UHFFFAOYSA-N
XLogP4.09
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(2-methoxyethoxy)-N-(4-methoxy-4-methylpentan-2-yl)aniline
CID 43734097
N-butan-2-yl-4-propoxyaniline
CID 21311789
N-propan-2-yl-4-propoxyaniline
CID 21311809
N-hexan-2-yl-4-propoxyaniline
CID 21311820
N-(1,1-difluoropropan-2-yl)-4-propoxyaniline
CID 102869475
4-[(4-methoxy-4-methylpentan-2-yl)amino]phenol
CID 43742567
N-(1-ethylsulfonylpropan-2-yl)-4-propoxyaniline
CID 115922546
4-(2-methoxyethoxy)-N-pentan-2-ylaniline
CID 43734198
N-hexan-2-yl-4-[3-[4-(hexan-2-ylamino)phenoxy]propoxy]aniline
CID 54014240
6-methoxy-N-(4-methoxy-4-methylpentan-2-yl)pyridin-3-amine
CID 43146958
ethyl 3-(4-propoxyanilino)butanoate
CID 62328151
4-(2-aminoethoxy)-N-pentan-2-ylaniline
CID 107886099

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-4-methylpentan-2-yl)-4-propoxyaniline?
The IUPAC name of N-(4-methoxy-4-methylpentan-2-yl)-4-propoxyaniline (CID 62329167) is N-(4-methoxy-4-methylpentan-2-yl)-4-propoxyaniline.
What is the SMILES notation for N-(4-methoxy-4-methylpentan-2-yl)-4-propoxyaniline?
The canonical SMILES for N-(4-methoxy-4-methylpentan-2-yl)-4-propoxyaniline is CCCOc1ccc(NC(C)CC(C)(C)OC)cc1.
What is the InChIKey of N-(4-methoxy-4-methylpentan-2-yl)-4-propoxyaniline?
The InChIKey is WRYWIXGUFAQPFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-6-11-19-15-9-7-14(8-10-15)17-13(2)12-16(3,4)18-5/h7-10,13,17H,6,11-12H2,1-5H3.
What are the key properties of N-(4-methoxy-4-methylpentan-2-yl)-4-propoxyaniline?
N-(4-methoxy-4-methylpentan-2-yl)-4-propoxyaniline has a molecular weight of 265.40 g/mol, XLogP of 4.09, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-4-methylpentan-2-yl)-4-propoxyaniline is sourced from PubChem (CID 62329167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).