2-methyl-2-(3-phenylpropoxy)propan-1-amine

C13H21NO — CID 62354830

IUPAC2-methyl-2-(3-phenylpropoxy)propan-1-amine
SMILESCC(C)(CN)OCCCc1ccccc1
InChIInChI=1S/C13H21NO/c1-13(2,11-14)15-10-6-9-12-7-4-3-5-8-12/h3-5,7-8H,6,9-11,14H2,1-2H3
InChIKeyMNLIJUQYFRYYGW-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.37
Rot. Bonds6

About 2-methyl-2-(3-phenylpropoxy)propan-1-amine

2-methyl-2-(3-phenylpropoxy)propan-1-amine (PubChem CID 62354830) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 2-methyl-2-(3-phenylpropoxy)propan-1-amine.

Molecular Properties

Compound Name2-methyl-2-(3-phenylpropoxy)propan-1-amine
PubChem CID62354830
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name2-methyl-2-(3-phenylpropoxy)propan-1-amine
SMILESCC(C)(CN)OCCCc1ccccc1
InChIInChI=1S/C13H21NO/c1-13(2,11-14)15-10-6-9-12-7-4-3-5-8-12/h3-5,7-8H,6,9-11,14H2,1-2H3
InChIKeyMNLIJUQYFRYYGW-UHFFFAOYSA-N
XLogP2.37
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.37
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-(4-phenylbutoxy)propan-1-amine
CID 114332862
N-ethyl-2-methyl-2-(3-phenylpropoxy)propan-1-amine
CID 55063095
4-[(2-methylpropan-2-yl)oxy]butylbenzene
CID 14937175
3-(1-iodo-2-phenylpropan-2-yl)oxypropylbenzene
CID 114773834
tert-butyl 3-phenylpropyl carbonate
CID 24789021
2-[2-[2-[2-(3-phenylpropoxy)ethoxy]ethoxy]ethoxy]ethanamine
CID 138496429
tert-butyl(4-phenylbutoxy)silane
CID 154145824
N,2-dimethyl-2-(2-phenylethoxy)propan-1-amine
CID 114998432
benzene;3-phenylpropan-1-amine
CID 174865683
12-(trifluoromethoxy)dodecylbenzene
CID 59366570
diethyl(3-phenylpropoxy)phosphane
CID 141159247
[dimethoxy(3-phenylpropoxy)silyl]methanamine
CID 139835551

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(3-phenylpropoxy)propan-1-amine?
The IUPAC name of 2-methyl-2-(3-phenylpropoxy)propan-1-amine (CID 62354830) is 2-methyl-2-(3-phenylpropoxy)propan-1-amine.
What is the SMILES notation for 2-methyl-2-(3-phenylpropoxy)propan-1-amine?
The canonical SMILES for 2-methyl-2-(3-phenylpropoxy)propan-1-amine is CC(C)(CN)OCCCc1ccccc1.
What is the InChIKey of 2-methyl-2-(3-phenylpropoxy)propan-1-amine?
The InChIKey is MNLIJUQYFRYYGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-13(2,11-14)15-10-6-9-12-7-4-3-5-8-12/h3-5,7-8H,6,9-11,14H2,1-2H3.
What are the key properties of 2-methyl-2-(3-phenylpropoxy)propan-1-amine?
2-methyl-2-(3-phenylpropoxy)propan-1-amine has a molecular weight of 207.32 g/mol, XLogP of 2.37, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(3-phenylpropoxy)propan-1-amine is sourced from PubChem (CID 62354830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).