2,3-dimethyl-N-[1-[4-(2-methylpropoxy)phenyl]ethyl]butan-1-amine

C18H31NO — CID 64570267

IUPAC2,3-dimethyl-N-[1-[4-(2-methylpropoxy)phenyl]ethyl]butan-1-amine
SMILESCC(C)COc1ccc(C(C)NCC(C)C(C)C)cc1
InChIInChI=1S/C18H31NO/c1-13(2)12-20-18-9-7-17(8-10-18)16(6)19-11-15(5)14(3)4/h7-10,13-16,19H,11-12H2,1-6H3
InChIKeyXARNIZOTZXVIPX-UHFFFAOYSA-N
MW277.45 g/mol
LogP4.66
Rot. Bonds8

About 2,3-dimethyl-N-[1-[4-(2-methylpropoxy)phenyl]ethyl]butan-1-amine

2,3-dimethyl-N-[1-[4-(2-methylpropoxy)phenyl]ethyl]butan-1-amine (PubChem CID 64570267) has the molecular formula C18H31NO and a molecular weight of 277.45 g/mol. Its IUPAC name is 2,3-dimethyl-N-[1-[4-(2-methylpropoxy)phenyl]ethyl]butan-1-amine.

Molecular Properties

Compound Name2,3-dimethyl-N-[1-[4-(2-methylpropoxy)phenyl]ethyl]butan-1-amine
PubChem CID64570267
Molecular FormulaC18H31NO
Molecular Weight277.45 g/mol
Exact Mass277.24
IUPAC Name2,3-dimethyl-N-[1-[4-(2-methylpropoxy)phenyl]ethyl]butan-1-amine
SMILESCC(C)COc1ccc(C(C)NCC(C)C(C)C)cc1
InChIInChI=1S/C18H31NO/c1-13(2)12-20-18-9-7-17(8-10-18)16(6)19-11-15(5)14(3)4/h7-10,13-16,19H,11-12H2,1-6H3
InChIKeyXARNIZOTZXVIPX-UHFFFAOYSA-N
XLogP4.66
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.45
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(cyclopentylmethyl)-1-[4-(2-methylpropoxy)phenyl]ethanamine
CID 43370779
3-methyl-N-[1-[4-(2-methylpropoxy)phenyl]ethyl]pentan-2-amine
CID 63456175
3-[1-[4-(2-methylpropoxy)phenyl]ethylamino]propanenitrile
CID 43207709
2,2-dimethyl-N-[1-[4-(2-methylpropoxy)phenyl]ethyl]butan-1-amine
CID 103460601
N-[(1S)-1-(4-butoxyphenyl)ethyl]-2-methylpropan-1-amine
CID 100558104
2,3-dimethyl-N-[1-(4-phenylphenyl)ethyl]butan-1-amine
CID 64570250
1-[[1-[4-(2-methylpropoxy)phenyl]ethylamino]methyl]cyclopentan-1-ol
CID 65107204
N-(2-cyclopentylethyl)-1-[4-(2-methylpropoxy)phenyl]ethanamine
CID 63450652
3-ethenoxy-N-[1-[4-(2-methylpropoxy)phenyl]ethyl]propan-1-amine
CID 43102840
2-methyl-N-[1-[4-(2-methylpropoxy)phenyl]ethyl]butan-2-amine
CID 43105137
1-(2-methylpropoxy)-4-[(1R)-1-(sulfamoylamino)ethyl]benzene
CID 97082572
N-ethyl-3-[1-[4-(2-methylpropoxy)phenyl]ethylamino]propanamide
CID 115902066

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-N-[1-[4-(2-methylpropoxy)phenyl]ethyl]butan-1-amine?
The IUPAC name of 2,3-dimethyl-N-[1-[4-(2-methylpropoxy)phenyl]ethyl]butan-1-amine (CID 64570267) is 2,3-dimethyl-N-[1-[4-(2-methylpropoxy)phenyl]ethyl]butan-1-amine.
What is the SMILES notation for 2,3-dimethyl-N-[1-[4-(2-methylpropoxy)phenyl]ethyl]butan-1-amine?
The canonical SMILES for 2,3-dimethyl-N-[1-[4-(2-methylpropoxy)phenyl]ethyl]butan-1-amine is CC(C)COc1ccc(C(C)NCC(C)C(C)C)cc1.
What is the InChIKey of 2,3-dimethyl-N-[1-[4-(2-methylpropoxy)phenyl]ethyl]butan-1-amine?
The InChIKey is XARNIZOTZXVIPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO/c1-13(2)12-20-18-9-7-17(8-10-18)16(6)19-11-15(5)14(3)4/h7-10,13-16,19H,11-12H2,1-6H3.
What are the key properties of 2,3-dimethyl-N-[1-[4-(2-methylpropoxy)phenyl]ethyl]butan-1-amine?
2,3-dimethyl-N-[1-[4-(2-methylpropoxy)phenyl]ethyl]butan-1-amine has a molecular weight of 277.45 g/mol, XLogP of 4.66, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-N-[1-[4-(2-methylpropoxy)phenyl]ethyl]butan-1-amine is sourced from PubChem (CID 64570267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).