1-(4-tert-butylphenyl)-N-methyl-1-(oxan-3-yl)methanamine

C17H27NO — CID 63012550

IUPAC1-(4-tert-butylphenyl)-N-methyl-1-(oxan-3-yl)methanamine
SMILESCNC(c1ccc(C(C)(C)C)cc1)C1CCCOC1
InChIInChI=1S/C17H27NO/c1-17(2,3)15-9-7-13(8-10-15)16(18-4)14-6-5-11-19-12-14/h7-10,14,16,18H,5-6,11-12H2,1-4H3
InChIKeyAXTJANJTQSRHKU-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.67
Rot. Bonds3

About 1-(4-tert-butylphenyl)-N-methyl-1-(oxan-3-yl)methanamine

1-(4-tert-butylphenyl)-N-methyl-1-(oxan-3-yl)methanamine (PubChem CID 63012550) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)-N-methyl-1-(oxan-3-yl)methanamine.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)-N-methyl-1-(oxan-3-yl)methanamine
PubChem CID63012550
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name1-(4-tert-butylphenyl)-N-methyl-1-(oxan-3-yl)methanamine
SMILESCNC(c1ccc(C(C)(C)C)cc1)C1CCCOC1
InChIInChI=1S/C17H27NO/c1-17(2,3)15-9-7-13(8-10-15)16(18-4)14-6-5-11-19-12-14/h7-10,14,16,18H,5-6,11-12H2,1-4H3
InChIKeyAXTJANJTQSRHKU-UHFFFAOYSA-N
XLogP3.67
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-tert-butylphenyl)-1-cyclooctyl-N-methylmethanamine
CID 65018209
[(4-tert-butylphenyl)-(oxolan-3-yl)methyl]hydrazine
CID 105229515
N-methyl-1-(5-methylfuran-3-yl)-1-(oxan-3-yl)methanamine
CID 107139171
N-methyl-1-(oxan-3-yl)-1-pyridazin-4-ylmethanamine
CID 107138816
1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methyl-1-(oxan-3-yl)methanamine
CID 107289018
1-(4-fluorophenyl)-N-methyl-1-(oxolan-3-yl)methanamine
CID 61273212
N-methyl-1-(oxolan-3-yl)-1-(4-propan-2-yloxyphenyl)methanamine
CID 61276553
1-(2,2-dimethyl-3H-1-benzofuran-5-yl)-N-methyl-1-(oxan-3-yl)methanamine
CID 63015238
7-[methylamino(oxan-3-yl)methyl]-3,4-dihydro-2H-1,4-benzoxazepin-5-one
CID 104525855
2-(4-tert-butylphenyl)-1-(oxan-3-yl)ethanamine
CID 65331958
1-(5-bromo-3-pyridinyl)-N-methyl-1-(oxan-3-yl)methanamine
CID 107136699
1-(3,4-dimethylphenyl)-N-methyl-1-(oxolan-3-yl)methanamine
CID 61271037

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)-N-methyl-1-(oxan-3-yl)methanamine?
The IUPAC name of 1-(4-tert-butylphenyl)-N-methyl-1-(oxan-3-yl)methanamine (CID 63012550) is 1-(4-tert-butylphenyl)-N-methyl-1-(oxan-3-yl)methanamine.
What is the SMILES notation for 1-(4-tert-butylphenyl)-N-methyl-1-(oxan-3-yl)methanamine?
The canonical SMILES for 1-(4-tert-butylphenyl)-N-methyl-1-(oxan-3-yl)methanamine is CNC(c1ccc(C(C)(C)C)cc1)C1CCCOC1.
What is the InChIKey of 1-(4-tert-butylphenyl)-N-methyl-1-(oxan-3-yl)methanamine?
The InChIKey is AXTJANJTQSRHKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-17(2,3)15-9-7-13(8-10-15)16(18-4)14-6-5-11-19-12-14/h7-10,14,16,18H,5-6,11-12H2,1-4H3.
What are the key properties of 1-(4-tert-butylphenyl)-N-methyl-1-(oxan-3-yl)methanamine?
1-(4-tert-butylphenyl)-N-methyl-1-(oxan-3-yl)methanamine has a molecular weight of 261.41 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenyl)-N-methyl-1-(oxan-3-yl)methanamine is sourced from PubChem (CID 63012550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).