2-methyl-N-[[4-(3-methylphenyl)oxan-4-yl]methyl]propan-2-amine

C17H27NO — CID 62594988

IUPAC2-methyl-N-[[4-(3-methylphenyl)oxan-4-yl]methyl]propan-2-amine
SMILESCc1cccc(C2(CNC(C)(C)C)CCOCC2)c1
InChIInChI=1S/C17H27NO/c1-14-6-5-7-15(12-14)17(8-10-19-11-9-17)13-18-16(2,3)4/h5-7,12,18H,8-11,13H2,1-4H3
InChIKeyBYHUGANMFAFUCM-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.43
Rot. Bonds3

About 2-methyl-N-[[4-(3-methylphenyl)oxan-4-yl]methyl]propan-2-amine

2-methyl-N-[[4-(3-methylphenyl)oxan-4-yl]methyl]propan-2-amine (PubChem CID 62594988) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 2-methyl-N-[[4-(3-methylphenyl)oxan-4-yl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[4-(3-methylphenyl)oxan-4-yl]methyl]propan-2-amine
PubChem CID62594988
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name2-methyl-N-[[4-(3-methylphenyl)oxan-4-yl]methyl]propan-2-amine
SMILESCc1cccc(C2(CNC(C)(C)C)CCOCC2)c1
InChIInChI=1S/C17H27NO/c1-14-6-5-7-15(12-14)17(8-10-19-11-9-17)13-18-16(2,3)4/h5-7,12,18H,8-11,13H2,1-4H3
InChIKeyBYHUGANMFAFUCM-UHFFFAOYSA-N
XLogP3.43
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 ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1-[4-(3-methylphenyl)oxan-4-yl]methanamine
CID 62596266
N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-2-methylpropan-2-amine
CID 62595127
4-ethyl-4-(3-methylphenyl)oxane
CID 143442460
ethane;4-ethyl-4-(3-methylphenyl)oxane
CID 143442459
N-[[4-(3,4-dichlorophenyl)oxan-4-yl]methyl]-2-methylpropan-2-amine
CID 62594600
N-[[1-(3-fluorophenyl)cyclopropyl]methyl]-2-methylpropan-2-amine
CID 62595883
2-methyl-N-[[4-(4-propan-2-ylphenyl)oxan-4-yl]methyl]propan-2-amine
CID 62594437
5-methyl-N-[[4-(3-methylphenyl)oxan-4-yl]methyl]thiophene-2-sulfonamide
CID 46968329
2-iodo-4-methyl-N-[[4-(3-methylphenyl)oxan-4-yl]methyl]benzamide
CID 100528479
1-[(4-hydroxyoxan-4-yl)methyl]-3-[[1-(3-methylphenyl)cyclopentyl]methyl]urea
CID 110936718
2-methyl-N-[[3-[(3-methylphenyl)methyl]oxolan-3-yl]methyl]propan-2-amine
CID 62718039
N-[[4-(3-methylphenyl)oxan-4-yl]methyl]-2-(4-phenylphenyl)acetamide
CID 100517750

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[4-(3-methylphenyl)oxan-4-yl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[4-(3-methylphenyl)oxan-4-yl]methyl]propan-2-amine (CID 62594988) is 2-methyl-N-[[4-(3-methylphenyl)oxan-4-yl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[4-(3-methylphenyl)oxan-4-yl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[4-(3-methylphenyl)oxan-4-yl]methyl]propan-2-amine is Cc1cccc(C2(CNC(C)(C)C)CCOCC2)c1.
What is the InChIKey of 2-methyl-N-[[4-(3-methylphenyl)oxan-4-yl]methyl]propan-2-amine?
The InChIKey is BYHUGANMFAFUCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-14-6-5-7-15(12-14)17(8-10-19-11-9-17)13-18-16(2,3)4/h5-7,12,18H,8-11,13H2,1-4H3.
What are the key properties of 2-methyl-N-[[4-(3-methylphenyl)oxan-4-yl]methyl]propan-2-amine?
2-methyl-N-[[4-(3-methylphenyl)oxan-4-yl]methyl]propan-2-amine has a molecular weight of 261.41 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[4-(3-methylphenyl)oxan-4-yl]methyl]propan-2-amine is sourced from PubChem (CID 62594988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).