1-phenyl-3-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-amine

C17H27NO — CID 114624185

IUPAC1-phenyl-3-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-amine
SMILESCC1(C)CC(CCC(N)c2ccccc2)C(C)(C)O1
InChIInChI=1S/C17H27NO/c1-16(2)12-14(17(3,4)19-16)10-11-15(18)13-8-6-5-7-9-13/h5-9,14-15H,10-12,18H2,1-4H3
InChIKeySARFJYDNGJLLRO-UHFFFAOYSA-N
MW261.41 g/mol
LogP4.06
Rot. Bonds4

About 1-phenyl-3-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-amine

1-phenyl-3-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-amine (PubChem CID 114624185) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 1-phenyl-3-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-amine.

Molecular Properties

Compound Name1-phenyl-3-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-amine
PubChem CID114624185
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name1-phenyl-3-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-amine
SMILESCC1(C)CC(CCC(N)c2ccccc2)C(C)(C)O1
InChIInChI=1S/C17H27NO/c1-16(2)12-14(17(3,4)19-16)10-11-15(18)13-8-6-5-7-9-13/h5-9,14-15H,10-12,18H2,1-4H3
InChIKeySARFJYDNGJLLRO-UHFFFAOYSA-N
XLogP4.06
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-phenyl-3-(2,2,6,6-tetramethylmorpholin-4-yl)propan-1-amine
CID 102744332
3-cyclohexyl-1-phenylpropan-1-amine
CID 43110402
4-amino-N-(3-hydroxy-2,2-dimethylcyclobutyl)-4-phenylbutanamide
CID 114629642
2,2,5,5-tetramethyl-N-(2-methyl-1-phenylpropyl)oxolan-3-amine
CID 79916834
3-(2-ethylcyclohexyl)-1-phenylpropan-1-amine
CID 64502784
N',N'-dimethyl-1-phenylpropane-1,3-diamine
CID 25248080
(1S)-4-methyl-1-phenylpentan-1-amine
CID 28780030
3-(3-ethylcyclohexyl)-1-phenylpropan-1-amine
CID 64505370
3-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-ol
CID 114624243
2-ethoxy-2-phenyl-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanol
CID 114622770
3-phenyl-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-ol
CID 114622047
1-phenyl-N'-(2,2,3,3-tetramethylcyclopropyl)butane-1,4-diamine
CID 79351012

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-amine?
The IUPAC name of 1-phenyl-3-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-amine (CID 114624185) is 1-phenyl-3-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-amine.
What is the SMILES notation for 1-phenyl-3-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-amine?
The canonical SMILES for 1-phenyl-3-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-amine is CC1(C)CC(CCC(N)c2ccccc2)C(C)(C)O1.
What is the InChIKey of 1-phenyl-3-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-amine?
The InChIKey is SARFJYDNGJLLRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-16(2)12-14(17(3,4)19-16)10-11-15(18)13-8-6-5-7-9-13/h5-9,14-15H,10-12,18H2,1-4H3.
What are the key properties of 1-phenyl-3-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-amine?
1-phenyl-3-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-amine has a molecular weight of 261.41 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-amine is sourced from PubChem (CID 114624185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).