1-(3,4-diethylphenyl)-N-methyl-1-(2-methyloxolan-3-yl)methanamine

C17H27NO — CID 115482207

IUPAC1-(3,4-diethylphenyl)-N-methyl-1-(2-methyloxolan-3-yl)methanamine
SMILESCCc1ccc(C(NC)C2CCOC2C)cc1CC
InChIInChI=1S/C17H27NO/c1-5-13-7-8-15(11-14(13)6-2)17(18-4)16-9-10-19-12(16)3/h7-8,11-12,16-18H,5-6,9-10H2,1-4H3
InChIKeyQKUXDVJRRKFPSB-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.50
Rot. Bonds5

About 1-(3,4-diethylphenyl)-N-methyl-1-(2-methyloxolan-3-yl)methanamine

1-(3,4-diethylphenyl)-N-methyl-1-(2-methyloxolan-3-yl)methanamine (PubChem CID 115482207) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 1-(3,4-diethylphenyl)-N-methyl-1-(2-methyloxolan-3-yl)methanamine.

Molecular Properties

Compound Name1-(3,4-diethylphenyl)-N-methyl-1-(2-methyloxolan-3-yl)methanamine
PubChem CID115482207
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name1-(3,4-diethylphenyl)-N-methyl-1-(2-methyloxolan-3-yl)methanamine
SMILESCCc1ccc(C(NC)C2CCOC2C)cc1CC
InChIInChI=1S/C17H27NO/c1-5-13-7-8-15(11-14(13)6-2)17(18-4)16-9-10-19-12(16)3/h7-8,11-12,16-18H,5-6,9-10H2,1-4H3
InChIKeyQKUXDVJRRKFPSB-UHFFFAOYSA-N
XLogP3.50
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dichlorophenyl)-N-methyl-1-(2-methyloxolan-3-yl)methanamine
CID 79760213
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-1-(2-methyloxolan-3-yl)methanamine
CID 79758919
1-cycloheptyl-1-(3,4-diethylphenyl)-N-methylmethanamine
CID 115482256
N-[(3,4-diethylphenyl)-(3-methyloxolan-2-yl)methyl]ethanamine
CID 115482290
1-(4-cyclohexylphenyl)-N-methyl-1-(2-methyloxolan-3-yl)methanamine
CID 79755102
1-(3-cyclopropyloxyphenyl)-N-methyl-1-(2-methyloxolan-3-yl)methanamine
CID 105051662
N-[(3-ethylphenyl)-(2-methyloxolan-3-yl)methyl]ethanamine
CID 105018793
N-[(2-methyloxolan-3-yl)-naphthalen-2-ylmethyl]ethanamine
CID 115851069
(3,4-diethylphenyl)-(3-methyloxolan-2-yl)methanamine
CID 115481965
N-methyl-1-(2-methyloxolan-3-yl)-1-thiophen-2-ylmethanamine
CID 79758920
N-methyl-1-(2-methyloxolan-3-yl)-1-(2,4,6-trifluorophenyl)methanamine
CID 79758753
N-[(4-methoxy-3-methylphenyl)-(2-methyloxolan-3-yl)methyl]propan-1-amine
CID 79759239

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-diethylphenyl)-N-methyl-1-(2-methyloxolan-3-yl)methanamine?
The IUPAC name of 1-(3,4-diethylphenyl)-N-methyl-1-(2-methyloxolan-3-yl)methanamine (CID 115482207) is 1-(3,4-diethylphenyl)-N-methyl-1-(2-methyloxolan-3-yl)methanamine.
What is the SMILES notation for 1-(3,4-diethylphenyl)-N-methyl-1-(2-methyloxolan-3-yl)methanamine?
The canonical SMILES for 1-(3,4-diethylphenyl)-N-methyl-1-(2-methyloxolan-3-yl)methanamine is CCc1ccc(C(NC)C2CCOC2C)cc1CC.
What is the InChIKey of 1-(3,4-diethylphenyl)-N-methyl-1-(2-methyloxolan-3-yl)methanamine?
The InChIKey is QKUXDVJRRKFPSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-5-13-7-8-15(11-14(13)6-2)17(18-4)16-9-10-19-12(16)3/h7-8,11-12,16-18H,5-6,9-10H2,1-4H3.
What are the key properties of 1-(3,4-diethylphenyl)-N-methyl-1-(2-methyloxolan-3-yl)methanamine?
1-(3,4-diethylphenyl)-N-methyl-1-(2-methyloxolan-3-yl)methanamine has a molecular weight of 261.41 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-diethylphenyl)-N-methyl-1-(2-methyloxolan-3-yl)methanamine is sourced from PubChem (CID 115482207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).