1-(2-methyl-6-propylphenoxy)butan-2-amine

C14H23NO — CID 45097705

IUPAC1-(2-methyl-6-propylphenoxy)butan-2-amine
SMILESCCCc1cccc(C)c1OCC(N)CC
InChIInChI=1S/C14H23NO/c1-4-7-12-9-6-8-11(3)14(12)16-10-13(15)5-2/h6,8-9,13H,4-5,7,10,15H2,1-3H3
InChIKeyPNAUXGWBHCGSKA-UHFFFAOYSA-N
MW221.34 g/mol
LogP3.06
Rot. Bonds6

About 1-(2-methyl-6-propylphenoxy)butan-2-amine

1-(2-methyl-6-propylphenoxy)butan-2-amine (PubChem CID 45097705) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 1-(2-methyl-6-propylphenoxy)butan-2-amine.

Molecular Properties

Compound Name1-(2-methyl-6-propylphenoxy)butan-2-amine
PubChem CID45097705
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name1-(2-methyl-6-propylphenoxy)butan-2-amine
SMILESCCCc1cccc(C)c1OCC(N)CC
InChIInChI=1S/C14H23NO/c1-4-7-12-9-6-8-11(3)14(12)16-10-13(15)5-2/h6,8-9,13H,4-5,7,10,15H2,1-3H3
InChIKeyPNAUXGWBHCGSKA-UHFFFAOYSA-N
XLogP3.06
TPSA35.25 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 ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(2-ethylbutoxy)-3-methylphenyl]butan-2-amine
CID 112615535
2-[2-(2-ethylhexoxy)-3-methylphenyl]ethanamine
CID 112614853
1-[2-[3-(dimethylamino)propoxy]-3-methylphenyl]butan-2-amine
CID 114526345
1-(2-but-3-enoxy-3-methylphenyl)butan-2-amine
CID 112615496
1-[2-[(2-fluorophenyl)methoxy]-3-methylphenyl]butan-2-amine
CID 115958198
2-ethoxy-1,3-dipropylbenzene
CID 14665558
(2S)-1-(2,6-dimethylphenoxy)-3-phenylpropan-2-amine
CID 14796882
1-(3-methyl-2-pentoxyphenyl)propan-2-amine
CID 112615361
1-[2-(aminomethyl)-6-methylphenoxy]propan-2-ol
CID 112607256
1-[3-methyl-2-(2-pyridin-3-ylethoxy)phenyl]butan-2-amine
CID 115958169
1-[2-[(3-bromophenyl)methoxy]-3-methylphenyl]butan-2-amine
CID 115958219
ethyl 2-[2-(2-aminobutyl)-6-methylphenoxy]butanoate
CID 115958262

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-6-propylphenoxy)butan-2-amine?
The IUPAC name of 1-(2-methyl-6-propylphenoxy)butan-2-amine (CID 45097705) is 1-(2-methyl-6-propylphenoxy)butan-2-amine.
What is the SMILES notation for 1-(2-methyl-6-propylphenoxy)butan-2-amine?
The canonical SMILES for 1-(2-methyl-6-propylphenoxy)butan-2-amine is CCCc1cccc(C)c1OCC(N)CC.
What is the InChIKey of 1-(2-methyl-6-propylphenoxy)butan-2-amine?
The InChIKey is PNAUXGWBHCGSKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-4-7-12-9-6-8-11(3)14(12)16-10-13(15)5-2/h6,8-9,13H,4-5,7,10,15H2,1-3H3.
What are the key properties of 1-(2-methyl-6-propylphenoxy)butan-2-amine?
1-(2-methyl-6-propylphenoxy)butan-2-amine has a molecular weight of 221.34 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-6-propylphenoxy)butan-2-amine is sourced from PubChem (CID 45097705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).