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

C19H31NO — CID 62594437

IUPAC2-methyl-N-[[4-(4-propan-2-ylphenyl)oxan-4-yl]methyl]propan-2-amine
SMILESCC(C)c1ccc(C2(CNC(C)(C)C)CCOCC2)cc1
InChIInChI=1S/C19H31NO/c1-15(2)16-6-8-17(9-7-16)19(10-12-21-13-11-19)14-20-18(3,4)5/h6-9,15,20H,10-14H2,1-5H3
InChIKeyDAMSSHULLKTSFR-UHFFFAOYSA-N
MW289.46 g/mol
LogP4.25
Rot. Bonds4

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

2-methyl-N-[[4-(4-propan-2-ylphenyl)oxan-4-yl]methyl]propan-2-amine (PubChem CID 62594437) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is 2-methyl-N-[[4-(4-propan-2-ylphenyl)oxan-4-yl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[4-(4-propan-2-ylphenyl)oxan-4-yl]methyl]propan-2-amine
PubChem CID62594437
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC Name2-methyl-N-[[4-(4-propan-2-ylphenyl)oxan-4-yl]methyl]propan-2-amine
SMILESCC(C)c1ccc(C2(CNC(C)(C)C)CCOCC2)cc1
InChIInChI=1S/C19H31NO/c1-15(2)16-6-8-17(9-7-16)19(10-12-21-13-11-19)14-20-18(3,4)5/h6-9,15,20H,10-14H2,1-5H3
InChIKeyDAMSSHULLKTSFR-UHFFFAOYSA-N
XLogP4.25
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.46
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[4-(4-propan-2-ylphenyl)oxan-4-yl]methyl]cyclopropanamine
CID 62594253
N-[[4-(3,4-dichlorophenyl)oxan-4-yl]methyl]-2-methylpropan-2-amine
CID 62594600
N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-2-methylpropan-2-amine
CID 62595127
2-methyl-N-[[4-(3-methylphenyl)oxan-4-yl]methyl]propan-2-amine
CID 62594988
N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-N'-(4-propan-2-ylphenyl)oxamide
CID 27452245
N-[(4-phenyloxan-4-yl)methyl]-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 1308572
N-[[1-(4-fluorophenyl)cyclobutyl]methyl]-2-methylpropan-2-amine
CID 62595679
N-[[1-(4-bromophenyl)cyclobutyl]methyl]-2-methylpropan-2-amine
CID 55091756
2-methyl-N-[(1-phenylcyclopentyl)methyl]propan-2-amine
CID 55091317
N-[[1-(3,4-dichlorophenyl)cyclopropyl]methyl]-2-methylpropan-2-amine
CID 62594601
N-[[4-(3,4-dichlorophenyl)oxan-4-yl]methyl]propan-2-amine
CID 62596994
2-methyl-N-[[1-(4-propan-2-ylphenyl)cyclohexyl]methyl]propan-1-amine
CID 63509928

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[4-(4-propan-2-ylphenyl)oxan-4-yl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[4-(4-propan-2-ylphenyl)oxan-4-yl]methyl]propan-2-amine (CID 62594437) is 2-methyl-N-[[4-(4-propan-2-ylphenyl)oxan-4-yl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[4-(4-propan-2-ylphenyl)oxan-4-yl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[4-(4-propan-2-ylphenyl)oxan-4-yl]methyl]propan-2-amine is CC(C)c1ccc(C2(CNC(C)(C)C)CCOCC2)cc1.
What is the InChIKey of 2-methyl-N-[[4-(4-propan-2-ylphenyl)oxan-4-yl]methyl]propan-2-amine?
The InChIKey is DAMSSHULLKTSFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-15(2)16-6-8-17(9-7-16)19(10-12-21-13-11-19)14-20-18(3,4)5/h6-9,15,20H,10-14H2,1-5H3.
What are the key properties of 2-methyl-N-[[4-(4-propan-2-ylphenyl)oxan-4-yl]methyl]propan-2-amine?
2-methyl-N-[[4-(4-propan-2-ylphenyl)oxan-4-yl]methyl]propan-2-amine has a molecular weight of 289.46 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[4-(4-propan-2-ylphenyl)oxan-4-yl]methyl]propan-2-amine is sourced from PubChem (CID 62594437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).