2-methyl-N-[[4-(pentan-2-yloxymethyl)phenyl]methyl]propan-1-amine

C17H29NO — CID 102986816

IUPAC2-methyl-N-[[4-(pentan-2-yloxymethyl)phenyl]methyl]propan-1-amine
SMILESCCCC(C)OCc1ccc(CNCC(C)C)cc1
InChIInChI=1S/C17H29NO/c1-5-6-15(4)19-13-17-9-7-16(8-10-17)12-18-11-14(2)3/h7-10,14-15,18H,5-6,11-13H2,1-4H3
InChIKeyLXKGFEGBGQXZNP-UHFFFAOYSA-N
MW263.43 g/mol
LogP4.14
Rot. Bonds9

About 2-methyl-N-[[4-(pentan-2-yloxymethyl)phenyl]methyl]propan-1-amine

2-methyl-N-[[4-(pentan-2-yloxymethyl)phenyl]methyl]propan-1-amine (PubChem CID 102986816) has the molecular formula C17H29NO and a molecular weight of 263.43 g/mol. Its IUPAC name is 2-methyl-N-[[4-(pentan-2-yloxymethyl)phenyl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[4-(pentan-2-yloxymethyl)phenyl]methyl]propan-1-amine
PubChem CID102986816
Molecular FormulaC17H29NO
Molecular Weight263.43 g/mol
Exact Mass263.22
IUPAC Name2-methyl-N-[[4-(pentan-2-yloxymethyl)phenyl]methyl]propan-1-amine
SMILESCCCC(C)OCc1ccc(CNCC(C)C)cc1
InChIInChI=1S/C17H29NO/c1-5-6-15(4)19-13-17-9-7-16(8-10-17)12-18-11-14(2)3/h7-10,14-15,18H,5-6,11-13H2,1-4H3
InChIKeyLXKGFEGBGQXZNP-UHFFFAOYSA-N
XLogP4.14
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[4-(methoxymethyl)phenyl]methyl]-2-methylpropan-1-amine
CID 60751693
N-methyl-2-[4-(pentan-2-yloxymethyl)phenyl]propan-1-amine
CID 102987103
N-[[4-(hexoxymethyl)phenyl]methyl]-2-methylpropan-1-amine
CID 63492309
4-(pentan-2-yloxymethyl)pyridine
CID 59678333
2-methyl-N-[(4-propoxyphenyl)methyl]propan-1-amine
CID 28610770
N-[2-[4-(butan-2-yloxymethyl)phenyl]propyl]-2-methylpropan-1-amine
CID 105350634
2-methyl-N-[(3-pentan-2-yloxyphenyl)methyl]propan-1-amine
CID 107890981
N-[(4-ethoxyphenyl)methyl]-2-methylpropan-1-amine
CID 961342
N-[(4-ethoxyphenyl)methyl]-2-methylpropan-1-amine;hydrochloride
CID 17291298
N-[2-[4-(pentan-2-yloxymethyl)phenyl]propyl]cyclopropanamine
CID 102987150
2-methyl-N-[(4-propan-2-ylphenyl)methyl]propan-1-amine
CID 4725253
2-methyl-N-[[5-(octan-2-yloxymethyl)thiophen-2-yl]methyl]propan-1-amine
CID 107558196

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[4-(pentan-2-yloxymethyl)phenyl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[4-(pentan-2-yloxymethyl)phenyl]methyl]propan-1-amine (CID 102986816) is 2-methyl-N-[[4-(pentan-2-yloxymethyl)phenyl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[4-(pentan-2-yloxymethyl)phenyl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[4-(pentan-2-yloxymethyl)phenyl]methyl]propan-1-amine is CCCC(C)OCc1ccc(CNCC(C)C)cc1.
What is the InChIKey of 2-methyl-N-[[4-(pentan-2-yloxymethyl)phenyl]methyl]propan-1-amine?
The InChIKey is LXKGFEGBGQXZNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-5-6-15(4)19-13-17-9-7-16(8-10-17)12-18-11-14(2)3/h7-10,14-15,18H,5-6,11-13H2,1-4H3.
What are the key properties of 2-methyl-N-[[4-(pentan-2-yloxymethyl)phenyl]methyl]propan-1-amine?
2-methyl-N-[[4-(pentan-2-yloxymethyl)phenyl]methyl]propan-1-amine has a molecular weight of 263.43 g/mol, XLogP of 4.14, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[4-(pentan-2-yloxymethyl)phenyl]methyl]propan-1-amine is sourced from PubChem (CID 102986816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).