2-methyl-1-[4-(2-methylpropoxy)phenyl]pentan-1-amine

C16H27NO — CID 107886407

IUPAC2-methyl-1-[4-(2-methylpropoxy)phenyl]pentan-1-amine
SMILESCCCC(C)C(N)c1ccc(OCC(C)C)cc1
InChIInChI=1S/C16H27NO/c1-5-6-13(4)16(17)14-7-9-15(10-8-14)18-11-12(2)3/h7-10,12-13,16H,5-6,11,17H2,1-4H3
InChIKeyMRZDXTPXAXUIHS-UHFFFAOYSA-N
MW249.40 g/mol
LogP4.16
Rot. Bonds7

About 2-methyl-1-[4-(2-methylpropoxy)phenyl]pentan-1-amine

2-methyl-1-[4-(2-methylpropoxy)phenyl]pentan-1-amine (PubChem CID 107886407) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is 2-methyl-1-[4-(2-methylpropoxy)phenyl]pentan-1-amine.

Molecular Properties

Compound Name2-methyl-1-[4-(2-methylpropoxy)phenyl]pentan-1-amine
PubChem CID107886407
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name2-methyl-1-[4-(2-methylpropoxy)phenyl]pentan-1-amine
SMILESCCCC(C)C(N)c1ccc(OCC(C)C)cc1
InChIInChI=1S/C16H27NO/c1-5-6-13(4)16(17)14-7-9-15(10-8-14)18-11-12(2)3/h7-10,12-13,16H,5-6,11,17H2,1-4H3
InChIKeyMRZDXTPXAXUIHS-UHFFFAOYSA-N
XLogP4.16
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-ethoxyphenyl)-2-methylbutan-1-amine
CID 12771706
2-methyl-1-(4-phenylphenyl)pentan-1-amine
CID 43094240
1-(4-butoxyphenyl)-4-methylpentan-1-amine
CID 105127236
1-[4-(3-methylbutoxy)phenyl]butan-1-amine
CID 153373818
(1R)-1-(4-methoxyphenyl)-2-methylbutan-1-amine
CID 171200898
2-amino-1-[4-(2-methylpropoxy)phenyl]ethanol
CID 102533878
1-(4-methoxyphenyl)-2-methylbutane-1,4-diamine
CID 116933980
3-methyl-N-[1-[4-(2-methylpropoxy)phenyl]ethyl]pentan-2-amine
CID 63456175
1-methoxy-4-propan-2-ylbenzene;1-(2-methylpropoxy)-4-propan-2-ylbenzene
CID 163393243
1-[2-fluoro-5-(2-methylpropoxy)phenyl]butan-1-amine
CID 83988832
1-[2-ethyl-4-(2-methylpropoxy)phenyl]butan-1-amine
CID 82551989
(3R)-3-amino-3-[4-(2-methylpropoxy)phenyl]propanoic acid
CID 776432

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[4-(2-methylpropoxy)phenyl]pentan-1-amine?
The IUPAC name of 2-methyl-1-[4-(2-methylpropoxy)phenyl]pentan-1-amine (CID 107886407) is 2-methyl-1-[4-(2-methylpropoxy)phenyl]pentan-1-amine.
What is the SMILES notation for 2-methyl-1-[4-(2-methylpropoxy)phenyl]pentan-1-amine?
The canonical SMILES for 2-methyl-1-[4-(2-methylpropoxy)phenyl]pentan-1-amine is CCCC(C)C(N)c1ccc(OCC(C)C)cc1.
What is the InChIKey of 2-methyl-1-[4-(2-methylpropoxy)phenyl]pentan-1-amine?
The InChIKey is MRZDXTPXAXUIHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-5-6-13(4)16(17)14-7-9-15(10-8-14)18-11-12(2)3/h7-10,12-13,16H,5-6,11,17H2,1-4H3.
What are the key properties of 2-methyl-1-[4-(2-methylpropoxy)phenyl]pentan-1-amine?
2-methyl-1-[4-(2-methylpropoxy)phenyl]pentan-1-amine has a molecular weight of 249.40 g/mol, XLogP of 4.16, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[4-(2-methylpropoxy)phenyl]pentan-1-amine is sourced from PubChem (CID 107886407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).