2-[4-(methoxymethyl)phenyl]-N-propan-2-ylpropan-1-amine

C14H23NO — CID 105349131

IUPAC2-[4-(methoxymethyl)phenyl]-N-propan-2-ylpropan-1-amine
SMILESCOCc1ccc(C(C)CNC(C)C)cc1
InChIInChI=1S/C14H23NO/c1-11(2)15-9-12(3)14-7-5-13(6-8-14)10-16-4/h5-8,11-12,15H,9-10H2,1-4H3
InChIKeyQZFJDHZCELCDPU-UHFFFAOYSA-N
MW221.34 g/mol
LogP2.93
Rot. Bonds6

About 2-[4-(methoxymethyl)phenyl]-N-propan-2-ylpropan-1-amine

2-[4-(methoxymethyl)phenyl]-N-propan-2-ylpropan-1-amine (PubChem CID 105349131) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 2-[4-(methoxymethyl)phenyl]-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound Name2-[4-(methoxymethyl)phenyl]-N-propan-2-ylpropan-1-amine
PubChem CID105349131
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name2-[4-(methoxymethyl)phenyl]-N-propan-2-ylpropan-1-amine
SMILESCOCc1ccc(C(C)CNC(C)C)cc1
InChIInChI=1S/C14H23NO/c1-11(2)15-9-12(3)14-7-5-13(6-8-14)10-16-4/h5-8,11-12,15H,9-10H2,1-4H3
InChIKeyQZFJDHZCELCDPU-UHFFFAOYSA-N
XLogP2.93
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-propan-2-yl-2-[4-(propan-2-yloxymethyl)phenyl]propan-1-amine
CID 105349506
N-propan-2-yl-2-[4-(2-propan-2-yloxyethoxymethyl)phenyl]propan-1-amine
CID 105349537
N-propan-2-yl-2-[4-(1,1,1-trifluoropropan-2-yloxymethyl)phenyl]propan-1-amine
CID 105351077
2-[4-[[methyl(prop-2-ynyl)amino]methyl]phenyl]-N-propan-2-ylpropan-1-amine
CID 105348064
2-[4-(2-methoxyethoxymethyl)phenyl]-N-propylpropan-1-amine
CID 105349563
N-[[4-(methoxymethyl)phenyl]methyl]-2-methylpropan-1-amine
CID 60751693
acetaldehyde;ethane;2-(4-methylphenyl)-N-propan-2-ylpropan-1-amine
CID 143606802
N-methyl-N-[[4-[1-(propan-2-ylamino)propan-2-yl]phenyl]methyl]pentan-1-amine
CID 105346938
1-(methoxymethyl)-4-(propan-2-yloxymethyl)benzene
CID 70670788
2-[[4-(methoxymethyl)phenyl]methylidene]-3-methyl-N-propan-2-ylbutan-1-amine
CID 79338904
2-[3-(methoxymethyl)phenoxy]-N-propan-2-ylpropan-1-amine
CID 63986199
2-[4-(methoxymethyl)phenyl]propanehydrazide
CID 105351367

Frequently Asked Questions

What is the IUPAC name of 2-[4-(methoxymethyl)phenyl]-N-propan-2-ylpropan-1-amine?
The IUPAC name of 2-[4-(methoxymethyl)phenyl]-N-propan-2-ylpropan-1-amine (CID 105349131) is 2-[4-(methoxymethyl)phenyl]-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for 2-[4-(methoxymethyl)phenyl]-N-propan-2-ylpropan-1-amine?
The canonical SMILES for 2-[4-(methoxymethyl)phenyl]-N-propan-2-ylpropan-1-amine is COCc1ccc(C(C)CNC(C)C)cc1.
What is the InChIKey of 2-[4-(methoxymethyl)phenyl]-N-propan-2-ylpropan-1-amine?
The InChIKey is QZFJDHZCELCDPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-11(2)15-9-12(3)14-7-5-13(6-8-14)10-16-4/h5-8,11-12,15H,9-10H2,1-4H3.
What are the key properties of 2-[4-(methoxymethyl)phenyl]-N-propan-2-ylpropan-1-amine?
2-[4-(methoxymethyl)phenyl]-N-propan-2-ylpropan-1-amine has a molecular weight of 221.34 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(methoxymethyl)phenyl]-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 105349131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).