N-ethyl-2-(oxolan-2-ylmethyl)-2-phenylbutan-1-amine

C17H27NO — CID 62724879

IUPACN-ethyl-2-(oxolan-2-ylmethyl)-2-phenylbutan-1-amine
SMILESCCNCC(CC)(CC1CCCO1)c1ccccc1
InChIInChI=1S/C17H27NO/c1-3-17(14-18-4-2,13-16-11-8-12-19-16)15-9-6-5-7-10-15/h5-7,9-10,16,18H,3-4,8,11-14H2,1-2H3
InChIKeyGZWPTCRERAJVEG-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.51
Rot. Bonds7

About N-ethyl-2-(oxolan-2-ylmethyl)-2-phenylbutan-1-amine

N-ethyl-2-(oxolan-2-ylmethyl)-2-phenylbutan-1-amine (PubChem CID 62724879) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is N-ethyl-2-(oxolan-2-ylmethyl)-2-phenylbutan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-(oxolan-2-ylmethyl)-2-phenylbutan-1-amine
PubChem CID62724879
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC NameN-ethyl-2-(oxolan-2-ylmethyl)-2-phenylbutan-1-amine
SMILESCCNCC(CC)(CC1CCCO1)c1ccccc1
InChIInChI=1S/C17H27NO/c1-3-17(14-18-4-2,13-16-11-8-12-19-16)15-9-6-5-7-10-15/h5-7,9-10,16,18H,3-4,8,11-14H2,1-2H3
InChIKeyGZWPTCRERAJVEG-UHFFFAOYSA-N
XLogP3.51
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(oxolan-2-yl)-2-phenylbutan-2-amine
CID 62620723
2-ethyl-4-(oxolan-2-yl)-2-phenylbutan-1-ol
CID 66058100
1-(oxolan-2-yl)-3-phenylpentan-3-ol
CID 65162332
N-ethyl-2-phenyl-2-(thiophen-2-ylmethyl)butan-1-amine
CID 62724684
1-(oxan-2-ylmethylamino)-2-phenylpropan-2-ol
CID 55068618
2-(3-fluorophenyl)-2-(oxolan-2-ylmethyl)propane-1,3-diol
CID 79450596
6-(oxolan-2-yl)-3-phenylhexan-3-amine
CID 65166888
N-[2-(cyclopentylmethyl)-2-phenylbutyl]cyclopropanamine
CID 63508646
N,2-diethyl-2-methyl-4-(oxolan-2-yl)butan-1-amine
CID 65165209
1-(oxolan-2-yl)-3-phenylhexan-3-ol
CID 65162334
N,2-diethyl-2-phenyl-4-(trifluoromethylsulfanyl)butan-1-amine
CID 116617750
N,2-diethyl-2-methyl-5-(oxolan-2-yl)pentan-1-amine
CID 65165208

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(oxolan-2-ylmethyl)-2-phenylbutan-1-amine?
The IUPAC name of N-ethyl-2-(oxolan-2-ylmethyl)-2-phenylbutan-1-amine (CID 62724879) is N-ethyl-2-(oxolan-2-ylmethyl)-2-phenylbutan-1-amine.
What is the SMILES notation for N-ethyl-2-(oxolan-2-ylmethyl)-2-phenylbutan-1-amine?
The canonical SMILES for N-ethyl-2-(oxolan-2-ylmethyl)-2-phenylbutan-1-amine is CCNCC(CC)(CC1CCCO1)c1ccccc1.
What is the InChIKey of N-ethyl-2-(oxolan-2-ylmethyl)-2-phenylbutan-1-amine?
The InChIKey is GZWPTCRERAJVEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-3-17(14-18-4-2,13-16-11-8-12-19-16)15-9-6-5-7-10-15/h5-7,9-10,16,18H,3-4,8,11-14H2,1-2H3.
What are the key properties of N-ethyl-2-(oxolan-2-ylmethyl)-2-phenylbutan-1-amine?
N-ethyl-2-(oxolan-2-ylmethyl)-2-phenylbutan-1-amine has a molecular weight of 261.41 g/mol, XLogP of 3.51, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(oxolan-2-ylmethyl)-2-phenylbutan-1-amine is sourced from PubChem (CID 62724879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).