3-methyl-2-(4-propylphenoxy)butan-1-amine

C14H23NO — CID 62548251

IUPAC3-methyl-2-(4-propylphenoxy)butan-1-amine
SMILESCCCc1ccc(OC(CN)C(C)C)cc1
InChIInChI=1S/C14H23NO/c1-4-5-12-6-8-13(9-7-12)16-14(10-15)11(2)3/h6-9,11,14H,4-5,10,15H2,1-3H3
InChIKeyWZQUFGUXJMANAV-UHFFFAOYSA-N
MW221.34 g/mol
LogP3.00
Rot. Bonds6

About 3-methyl-2-(4-propylphenoxy)butan-1-amine

3-methyl-2-(4-propylphenoxy)butan-1-amine (PubChem CID 62548251) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 3-methyl-2-(4-propylphenoxy)butan-1-amine.

Molecular Properties

Compound Name3-methyl-2-(4-propylphenoxy)butan-1-amine
PubChem CID62548251
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name3-methyl-2-(4-propylphenoxy)butan-1-amine
SMILESCCCc1ccc(OC(CN)C(C)C)cc1
InChIInChI=1S/C14H23NO/c1-4-5-12-6-8-13(9-7-12)16-14(10-15)11(2)3/h6-9,11,14H,4-5,10,15H2,1-3H3
InChIKeyWZQUFGUXJMANAV-UHFFFAOYSA-N
XLogP3.00
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 ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-ethoxyphenoxy)-3-methylbutan-1-amine
CID 62451860
1-(3-methylbutan-2-yloxy)-4-propylbenzene
CID 147712786
N-tert-butyl-3-methyl-2-(4-propylphenoxy)butan-1-amine
CID 63497736
3-amino-2-(4-propylphenoxy)butan-1-ol
CID 64897888
ethanamine;1-methoxy-4-propylbenzene
CID 19382800
(4-propylphenyl) hypochlorite
CID 175330115
2-(2-chlorophenyl)-2-(4-propylphenoxy)ethanamine
CID 63459216
(2R)-2-(4-propylphenoxy)propanoyl chloride
CID 86712374
N-methyl-4-(4-propylphenoxy)pentan-2-amine
CID 64719800
(4-propan-2-yloxyphenyl)-(4-propylphenyl)methanol
CID 63890920
2-[4-(2-methoxyethyl)phenoxy]-3-methyl-N-propylbutan-1-amine
CID 62485354
1-phenyl-2-(4-propylphenoxy)butan-1-ol
CID 63467207

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(4-propylphenoxy)butan-1-amine?
The IUPAC name of 3-methyl-2-(4-propylphenoxy)butan-1-amine (CID 62548251) is 3-methyl-2-(4-propylphenoxy)butan-1-amine.
What is the SMILES notation for 3-methyl-2-(4-propylphenoxy)butan-1-amine?
The canonical SMILES for 3-methyl-2-(4-propylphenoxy)butan-1-amine is CCCc1ccc(OC(CN)C(C)C)cc1.
What is the InChIKey of 3-methyl-2-(4-propylphenoxy)butan-1-amine?
The InChIKey is WZQUFGUXJMANAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-4-5-12-6-8-13(9-7-12)16-14(10-15)11(2)3/h6-9,11,14H,4-5,10,15H2,1-3H3.
What are the key properties of 3-methyl-2-(4-propylphenoxy)butan-1-amine?
3-methyl-2-(4-propylphenoxy)butan-1-amine has a molecular weight of 221.34 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(4-propylphenoxy)butan-1-amine is sourced from PubChem (CID 62548251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).