2-methyl-N-[[4-[(4-methylphenyl)methyl]oxan-4-yl]methyl]propan-1-amine

C18H29NO — CID 62905753

IUPAC2-methyl-N-[[4-[(4-methylphenyl)methyl]oxan-4-yl]methyl]propan-1-amine
SMILESCc1ccc(CC2(CNCC(C)C)CCOCC2)cc1
InChIInChI=1S/C18H29NO/c1-15(2)13-19-14-18(8-10-20-11-9-18)12-17-6-4-16(3)5-7-17/h4-7,15,19H,8-14H2,1-3H3
InChIKeyRLKIOZKRYFNKCN-UHFFFAOYSA-N
MW275.44 g/mol
LogP3.58
Rot. Bonds6

About 2-methyl-N-[[4-[(4-methylphenyl)methyl]oxan-4-yl]methyl]propan-1-amine

2-methyl-N-[[4-[(4-methylphenyl)methyl]oxan-4-yl]methyl]propan-1-amine (PubChem CID 62905753) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is 2-methyl-N-[[4-[(4-methylphenyl)methyl]oxan-4-yl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[4-[(4-methylphenyl)methyl]oxan-4-yl]methyl]propan-1-amine
PubChem CID62905753
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name2-methyl-N-[[4-[(4-methylphenyl)methyl]oxan-4-yl]methyl]propan-1-amine
SMILESCc1ccc(CC2(CNCC(C)C)CCOCC2)cc1
InChIInChI=1S/C18H29NO/c1-15(2)13-19-14-18(8-10-20-11-9-18)12-17-6-4-16(3)5-7-17/h4-7,15,19H,8-14H2,1-3H3
InChIKeyRLKIOZKRYFNKCN-UHFFFAOYSA-N
XLogP3.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[4-[(4-methylphenyl)methyl]oxan-4-yl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[4-[(4-methylphenyl)methyl]oxan-4-yl]methyl]propan-1-amine (CID 62905753) is 2-methyl-N-[[4-[(4-methylphenyl)methyl]oxan-4-yl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[4-[(4-methylphenyl)methyl]oxan-4-yl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[4-[(4-methylphenyl)methyl]oxan-4-yl]methyl]propan-1-amine is Cc1ccc(CC2(CNCC(C)C)CCOCC2)cc1.
What is the InChIKey of 2-methyl-N-[[4-[(4-methylphenyl)methyl]oxan-4-yl]methyl]propan-1-amine?
The InChIKey is RLKIOZKRYFNKCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-15(2)13-19-14-18(8-10-20-11-9-18)12-17-6-4-16(3)5-7-17/h4-7,15,19H,8-14H2,1-3H3.
What are the key properties of 2-methyl-N-[[4-[(4-methylphenyl)methyl]oxan-4-yl]methyl]propan-1-amine?
2-methyl-N-[[4-[(4-methylphenyl)methyl]oxan-4-yl]methyl]propan-1-amine has a molecular weight of 275.44 g/mol, XLogP of 3.58, 6 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-methylphenyl)methyl]oxan-4-yl]methyl]propan-1-amine is sourced from PubChem (CID 62905753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).