2-methyl-2-(2-phenylmethoxyethyl)pentan-1-amine

C15H25NO — CID 130537173

IUPAC2-methyl-2-(2-phenylmethoxyethyl)pentan-1-amine
SMILESCCCC(C)(CN)CCOCc1ccccc1
InChIInChI=1S/C15H25NO/c1-3-9-15(2,13-16)10-11-17-12-14-7-5-4-6-8-14/h4-8H,3,9-13,16H2,1-2H3
InChIKeyPEBPSLTWIOCDDF-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.36
Rot. Bonds8

About 2-methyl-2-(2-phenylmethoxyethyl)pentan-1-amine

2-methyl-2-(2-phenylmethoxyethyl)pentan-1-amine (PubChem CID 130537173) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 2-methyl-2-(2-phenylmethoxyethyl)pentan-1-amine.

Molecular Properties

Compound Name2-methyl-2-(2-phenylmethoxyethyl)pentan-1-amine
PubChem CID130537173
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name2-methyl-2-(2-phenylmethoxyethyl)pentan-1-amine
SMILESCCCC(C)(CN)CCOCc1ccccc1
InChIInChI=1S/C15H25NO/c1-3-9-15(2,13-16)10-11-17-12-14-7-5-4-6-8-14/h4-8H,3,9-13,16H2,1-2H3
InChIKeyPEBPSLTWIOCDDF-UHFFFAOYSA-N
XLogP3.36
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.36
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

2-methyl-4-phenylmethoxybutane-1,2-diamine
CID 90114043
2-methyl-2-(2-phenoxyethyl)pentan-1-amine
CID 62726316
2-methyl-2-(phenylmethoxymethyl)butan-1-amine
CID 102940469
lithium;butoxymethylbenzene;hydride
CID 175482454
N,2-dimethyl-N-(2-phenylmethoxyethyl)propan-2-amine
CID 23381577
butoxymethylbenzene;phenylmethanamine
CID 142079106
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethylbenzene
CID 153014245
ethane;2-phenylmethoxyethanamine
CID 142016503
N-tert-butyl-2-methyl-2-(phenylmethoxymethyl)pentan-1-amine
CID 102940499
(3-methyl-3-phenoxybutoxy)methylbenzene
CID 59317010
butoxymethylbenzene;ethane
CID 145341806
2-methyl-1-(2-phenylmethoxyethoxy)propan-2-amine
CID 130536986

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(2-phenylmethoxyethyl)pentan-1-amine?
The IUPAC name of 2-methyl-2-(2-phenylmethoxyethyl)pentan-1-amine (CID 130537173) is 2-methyl-2-(2-phenylmethoxyethyl)pentan-1-amine.
What is the SMILES notation for 2-methyl-2-(2-phenylmethoxyethyl)pentan-1-amine?
The canonical SMILES for 2-methyl-2-(2-phenylmethoxyethyl)pentan-1-amine is CCCC(C)(CN)CCOCc1ccccc1.
What is the InChIKey of 2-methyl-2-(2-phenylmethoxyethyl)pentan-1-amine?
The InChIKey is PEBPSLTWIOCDDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-3-9-15(2,13-16)10-11-17-12-14-7-5-4-6-8-14/h4-8H,3,9-13,16H2,1-2H3.
What are the key properties of 2-methyl-2-(2-phenylmethoxyethyl)pentan-1-amine?
2-methyl-2-(2-phenylmethoxyethyl)pentan-1-amine has a molecular weight of 235.37 g/mol, XLogP of 3.36, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(2-phenylmethoxyethyl)pentan-1-amine is sourced from PubChem (CID 130537173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).