N-methyl-1-(2-methyloxan-2-yl)-1-(3-propylphenyl)methanamine

C17H27NO — CID 116544913

IUPACN-methyl-1-(2-methyloxan-2-yl)-1-(3-propylphenyl)methanamine
SMILESCCCc1cccc(C(NC)C2(C)CCCCO2)c1
InChIInChI=1S/C17H27NO/c1-4-8-14-9-7-10-15(13-14)16(18-3)17(2)11-5-6-12-19-17/h7,9-10,13,16,18H,4-6,8,11-12H2,1-3H3
InChIKeyOMRNLKUDFVFWFC-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.86
Rot. Bonds5

About N-methyl-1-(2-methyloxan-2-yl)-1-(3-propylphenyl)methanamine

N-methyl-1-(2-methyloxan-2-yl)-1-(3-propylphenyl)methanamine (PubChem CID 116544913) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is N-methyl-1-(2-methyloxan-2-yl)-1-(3-propylphenyl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(2-methyloxan-2-yl)-1-(3-propylphenyl)methanamine
PubChem CID116544913
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC NameN-methyl-1-(2-methyloxan-2-yl)-1-(3-propylphenyl)methanamine
SMILESCCCc1cccc(C(NC)C2(C)CCCCO2)c1
InChIInChI=1S/C17H27NO/c1-4-8-14-9-7-10-15(13-14)16(18-3)17(2)11-5-6-12-19-17/h7,9-10,13,16,18H,4-6,8,11-12H2,1-3H3
InChIKeyOMRNLKUDFVFWFC-UHFFFAOYSA-N
XLogP3.86
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 ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(2-methyloxolan-2-yl)-(3-propylphenyl)methyl]hydrazine
CID 105250921
[(3-ethylphenyl)-(2-methyloxolan-2-yl)methyl]hydrazine
CID 105250686
[(1-methylcyclopentyl)-(3-propylphenyl)methyl]hydrazine
CID 105340495
N-[(1-methylcyclopropyl)-(3-propylphenyl)methyl]ethanamine
CID 116544864
1-(4-fluorophenyl)-N-methyl-1-(2-methyloxan-2-yl)methanamine
CID 80684144
N-[(3-ethoxyphenyl)-(2-methyloxan-2-yl)methyl]propan-1-amine
CID 80685124
N-methyl-1-(2-methyloxan-2-yl)-3-phenylpropan-1-amine
CID 80684297
N-methyl-1-(3-propylphenyl)ethanamine
CID 59900502
1-(1-ethoxycyclohexyl)-1-(3-ethylphenyl)-N-methylmethanamine
CID 116763952
(2-methyloxan-2-yl)-[3-(2-methylpropyl)phenyl]methanamine
CID 116544912
N-methyl-1-(2-methyloxan-2-yl)-1-(2-methylphenyl)methanamine
CID 80683443
N-methyl-1-(2-methyloxan-2-yl)-2-phenylethanamine
CID 80685072

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2-methyloxan-2-yl)-1-(3-propylphenyl)methanamine?
The IUPAC name of N-methyl-1-(2-methyloxan-2-yl)-1-(3-propylphenyl)methanamine (CID 116544913) is N-methyl-1-(2-methyloxan-2-yl)-1-(3-propylphenyl)methanamine.
What is the SMILES notation for N-methyl-1-(2-methyloxan-2-yl)-1-(3-propylphenyl)methanamine?
The canonical SMILES for N-methyl-1-(2-methyloxan-2-yl)-1-(3-propylphenyl)methanamine is CCCc1cccc(C(NC)C2(C)CCCCO2)c1.
What is the InChIKey of N-methyl-1-(2-methyloxan-2-yl)-1-(3-propylphenyl)methanamine?
The InChIKey is OMRNLKUDFVFWFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-4-8-14-9-7-10-15(13-14)16(18-3)17(2)11-5-6-12-19-17/h7,9-10,13,16,18H,4-6,8,11-12H2,1-3H3.
What are the key properties of N-methyl-1-(2-methyloxan-2-yl)-1-(3-propylphenyl)methanamine?
N-methyl-1-(2-methyloxan-2-yl)-1-(3-propylphenyl)methanamine has a molecular weight of 261.41 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2-methyloxan-2-yl)-1-(3-propylphenyl)methanamine is sourced from PubChem (CID 116544913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).