4-methyl-N-[2-(4-propan-2-ylphenoxy)ethyl]pentan-1-amine

C17H29NO — CID 63506385

IUPAC4-methyl-N-[2-(4-propan-2-ylphenoxy)ethyl]pentan-1-amine
SMILESCC(C)CCCNCCOc1ccc(C(C)C)cc1
InChIInChI=1S/C17H29NO/c1-14(2)6-5-11-18-12-13-19-17-9-7-16(8-10-17)15(3)4/h7-10,14-15,18H,5-6,11-13H2,1-4H3
InChIKeyNTVMZEGKGCSJNF-UHFFFAOYSA-N
MW263.42 g/mol
LogP4.21
Rot. Bonds9

About 4-methyl-N-[2-(4-propan-2-ylphenoxy)ethyl]pentan-1-amine

4-methyl-N-[2-(4-propan-2-ylphenoxy)ethyl]pentan-1-amine (PubChem CID 63506385) has the molecular formula C17H29NO and a molecular weight of 263.42 g/mol. Its IUPAC name is 4-methyl-N-[2-(4-propan-2-ylphenoxy)ethyl]pentan-1-amine.

Molecular Properties

Compound Name4-methyl-N-[2-(4-propan-2-ylphenoxy)ethyl]pentan-1-amine
PubChem CID63506385
Molecular FormulaC17H29NO
Molecular Weight263.42 g/mol
Exact Mass263.22
IUPAC Name4-methyl-N-[2-(4-propan-2-ylphenoxy)ethyl]pentan-1-amine
SMILESCC(C)CCCNCCOc1ccc(C(C)C)cc1
InChIInChI=1S/C17H29NO/c1-14(2)6-5-11-18-12-13-19-17-9-7-16(8-10-17)15(3)4/h7-10,14-15,18H,5-6,11-13H2,1-4H3
InChIKeyNTVMZEGKGCSJNF-UHFFFAOYSA-N
XLogP4.21
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.42
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-bromophenoxy)ethyl]-4-methylpentan-1-amine
CID 55195428
N-[2-(4-methoxyphenoxy)ethyl]-7-methyloctan-1-amine
CID 103604960
7-methyl-N-(3-phenoxypropyl)octan-1-amine
CID 103604921
N-[4-(4-chlorophenoxy)butyl]-3-methylbutan-1-amine
CID 82104298
3-methyl-N-[2-(3-propan-2-ylphenoxy)ethyl]butan-1-amine
CID 55088692
N-[3-(4-methylphenoxy)propyl]-4-propan-2-ylaniline
CID 82096139
N-(3,6-dihydro-2H-pyran-5-ylmethyl)-2-(4-propan-2-ylphenoxy)ethanamine
CID 75384782
5-[2-(4-bromophenoxy)ethylamino]-2-methylpentan-1-ol
CID 106160128
4-chloro-N-(3-phenoxypropyl)pentan-1-amine
CID 106122013
4-methyl-N-[2-(1-propan-2-ylpyrazol-4-yl)oxyethyl]pentan-1-amine
CID 116803962
N-[2-[4-(2-methoxyethyl)phenoxy]ethyl]-3-methylbutan-1-amine
CID 55093446
ethane;1-(3-methoxypropoxy)-4-propan-2-ylbenzene
CID 177171107

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-(4-propan-2-ylphenoxy)ethyl]pentan-1-amine?
The IUPAC name of 4-methyl-N-[2-(4-propan-2-ylphenoxy)ethyl]pentan-1-amine (CID 63506385) is 4-methyl-N-[2-(4-propan-2-ylphenoxy)ethyl]pentan-1-amine.
What is the SMILES notation for 4-methyl-N-[2-(4-propan-2-ylphenoxy)ethyl]pentan-1-amine?
The canonical SMILES for 4-methyl-N-[2-(4-propan-2-ylphenoxy)ethyl]pentan-1-amine is CC(C)CCCNCCOc1ccc(C(C)C)cc1.
What is the InChIKey of 4-methyl-N-[2-(4-propan-2-ylphenoxy)ethyl]pentan-1-amine?
The InChIKey is NTVMZEGKGCSJNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-14(2)6-5-11-18-12-13-19-17-9-7-16(8-10-17)15(3)4/h7-10,14-15,18H,5-6,11-13H2,1-4H3.
What are the key properties of 4-methyl-N-[2-(4-propan-2-ylphenoxy)ethyl]pentan-1-amine?
4-methyl-N-[2-(4-propan-2-ylphenoxy)ethyl]pentan-1-amine has a molecular weight of 263.42 g/mol, XLogP of 4.21, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-(4-propan-2-ylphenoxy)ethyl]pentan-1-amine is sourced from PubChem (CID 63506385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).