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

C16H27NO — CID 102987103

IUPACN-methyl-2-[4-(pentan-2-yloxymethyl)phenyl]propan-1-amine
SMILESCCCC(C)OCc1ccc(C(C)CNC)cc1
InChIInChI=1S/C16H27NO/c1-5-6-14(3)18-12-15-7-9-16(10-8-15)13(2)11-17-4/h7-10,13-14,17H,5-6,11-12H2,1-4H3
InChIKeyXMZIRAFALCOWRL-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.71
Rot. Bonds8

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

N-methyl-2-[4-(pentan-2-yloxymethyl)phenyl]propan-1-amine (PubChem CID 102987103) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is N-methyl-2-[4-(pentan-2-yloxymethyl)phenyl]propan-1-amine.

Molecular Properties

Compound NameN-methyl-2-[4-(pentan-2-yloxymethyl)phenyl]propan-1-amine
PubChem CID102987103
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC NameN-methyl-2-[4-(pentan-2-yloxymethyl)phenyl]propan-1-amine
SMILESCCCC(C)OCc1ccc(C(C)CNC)cc1
InChIInChI=1S/C16H27NO/c1-5-6-14(3)18-12-15-7-9-16(10-8-15)13(2)11-17-4/h7-10,13-14,17H,5-6,11-12H2,1-4H3
InChIKeyXMZIRAFALCOWRL-UHFFFAOYSA-N
XLogP3.71
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[4-(pentan-2-yloxymethyl)phenyl]propyl]cyclopropanamine
CID 102987150
2-methyl-N-[[4-(pentan-2-yloxymethyl)phenyl]methyl]propan-1-amine
CID 102986816
1-butan-2-yl-4-(heptan-2-yloxymethyl)benzene
CID 134215652
N-[2-[4-(butan-2-yloxymethyl)phenyl]propyl]-2-methylpropan-1-amine
CID 105350634
N-[2-[4-(butan-2-yloxymethyl)phenyl]propyl]-2-methylpropan-2-amine
CID 105350633
2-[4-(pentan-2-yloxymethyl)phenyl]ethanamine
CID 102987139
N-methyl-2-[4-(phenoxymethyl)phenyl]propan-1-amine
CID 105350614
4-(pentan-2-yloxymethyl)pyridine
CID 59678333
2-[4-[(4-fluorophenoxy)methyl]phenyl]-N-methylpropan-1-amine
CID 105350603
2-[(4-tert-butylphenyl)methoxy]-N-methylpropan-1-amine
CID 62335702
N-propan-2-yl-2-[4-(propan-2-yloxymethyl)phenyl]propan-1-amine
CID 105349506
2-[4-(4-methylpentoxymethyl)phenyl]-N-propylpropan-1-amine
CID 105349722

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[4-(pentan-2-yloxymethyl)phenyl]propan-1-amine?
The IUPAC name of N-methyl-2-[4-(pentan-2-yloxymethyl)phenyl]propan-1-amine (CID 102987103) is N-methyl-2-[4-(pentan-2-yloxymethyl)phenyl]propan-1-amine.
What is the SMILES notation for N-methyl-2-[4-(pentan-2-yloxymethyl)phenyl]propan-1-amine?
The canonical SMILES for N-methyl-2-[4-(pentan-2-yloxymethyl)phenyl]propan-1-amine is CCCC(C)OCc1ccc(C(C)CNC)cc1.
What is the InChIKey of N-methyl-2-[4-(pentan-2-yloxymethyl)phenyl]propan-1-amine?
The InChIKey is XMZIRAFALCOWRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-5-6-14(3)18-12-15-7-9-16(10-8-15)13(2)11-17-4/h7-10,13-14,17H,5-6,11-12H2,1-4H3.
What are the key properties of N-methyl-2-[4-(pentan-2-yloxymethyl)phenyl]propan-1-amine?
N-methyl-2-[4-(pentan-2-yloxymethyl)phenyl]propan-1-amine has a molecular weight of 249.40 g/mol, XLogP of 3.71, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[4-(pentan-2-yloxymethyl)phenyl]propan-1-amine is sourced from PubChem (CID 102987103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).