2-methyl-2-(4-phenylbutoxy)propan-1-amine

C14H23NO — CID 114332862

IUPAC2-methyl-2-(4-phenylbutoxy)propan-1-amine
SMILESCC(C)(CN)OCCCCc1ccccc1
InChIInChI=1S/C14H23NO/c1-14(2,12-15)16-11-7-6-10-13-8-4-3-5-9-13/h3-5,8-9H,6-7,10-12,15H2,1-2H3
InChIKeyGSCLNBRDAQNBBY-UHFFFAOYSA-N
MW221.34 g/mol
LogP2.76
Rot. Bonds7

About 2-methyl-2-(4-phenylbutoxy)propan-1-amine

2-methyl-2-(4-phenylbutoxy)propan-1-amine (PubChem CID 114332862) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 2-methyl-2-(4-phenylbutoxy)propan-1-amine.

Molecular Properties

Compound Name2-methyl-2-(4-phenylbutoxy)propan-1-amine
PubChem CID114332862
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name2-methyl-2-(4-phenylbutoxy)propan-1-amine
SMILESCC(C)(CN)OCCCCc1ccccc1
InChIInChI=1S/C14H23NO/c1-14(2,12-15)16-11-7-6-10-13-8-4-3-5-9-13/h3-5,8-9H,6-7,10-12,15H2,1-2H3
InChIKeyGSCLNBRDAQNBBY-UHFFFAOYSA-N
XLogP2.76
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 52.76
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-2-(3-phenylpropoxy)propan-1-amine
CID 62354830
4-[(2-methylpropan-2-yl)oxy]butylbenzene
CID 14937175
tert-butyl(4-phenylbutoxy)silane
CID 154145824
12-(trifluoromethoxy)dodecylbenzene
CID 59366570
N-ethyl-2-methyl-2-(3-phenylpropoxy)propan-1-amine
CID 55063095
7-methoxyheptylbenzene
CID 54276867
4-phenylbutylbenzene
CID 141301927
8-(8-phenyloctoxy)octylbenzene
CID 56628536
4-phenylbutyl hypochlorite
CID 165357420
methane;4-phenylbutylbenzene
CID 173386802
hafnium;4-phenylbutylbenzene
CID 175889972
6-ethoxyhexylbenzene
CID 54300935

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(4-phenylbutoxy)propan-1-amine?
The IUPAC name of 2-methyl-2-(4-phenylbutoxy)propan-1-amine (CID 114332862) is 2-methyl-2-(4-phenylbutoxy)propan-1-amine.
What is the SMILES notation for 2-methyl-2-(4-phenylbutoxy)propan-1-amine?
The canonical SMILES for 2-methyl-2-(4-phenylbutoxy)propan-1-amine is CC(C)(CN)OCCCCc1ccccc1.
What is the InChIKey of 2-methyl-2-(4-phenylbutoxy)propan-1-amine?
The InChIKey is GSCLNBRDAQNBBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-14(2,12-15)16-11-7-6-10-13-8-4-3-5-9-13/h3-5,8-9H,6-7,10-12,15H2,1-2H3.
What are the key properties of 2-methyl-2-(4-phenylbutoxy)propan-1-amine?
2-methyl-2-(4-phenylbutoxy)propan-1-amine has a molecular weight of 221.34 g/mol, XLogP of 2.76, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(4-phenylbutoxy)propan-1-amine is sourced from PubChem (CID 114332862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).