3,3-dimethyl-1-(4-propylphenoxy)butan-2-amine

C15H25NO — CID 62548208

IUPAC3,3-dimethyl-1-(4-propylphenoxy)butan-2-amine
SMILESCCCc1ccc(OCC(N)C(C)(C)C)cc1
InChIInChI=1S/C15H25NO/c1-5-6-12-7-9-13(10-8-12)17-11-14(16)15(2,3)4/h7-10,14H,5-6,11,16H2,1-4H3
InChIKeySWHSBVYVRIPXLT-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.39
Rot. Bonds5

About 3,3-dimethyl-1-(4-propylphenoxy)butan-2-amine

3,3-dimethyl-1-(4-propylphenoxy)butan-2-amine (PubChem CID 62548208) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 3,3-dimethyl-1-(4-propylphenoxy)butan-2-amine.

Molecular Properties

Compound Name3,3-dimethyl-1-(4-propylphenoxy)butan-2-amine
PubChem CID62548208
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name3,3-dimethyl-1-(4-propylphenoxy)butan-2-amine
SMILESCCCc1ccc(OCC(N)C(C)(C)C)cc1
InChIInChI=1S/C15H25NO/c1-5-6-12-7-9-13(10-8-12)17-11-14(16)15(2,3)4/h7-10,14H,5-6,11,16H2,1-4H3
InChIKeySWHSBVYVRIPXLT-UHFFFAOYSA-N
XLogP3.39
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-amino-3,3-dimethylbutoxy)phenol
CID 117242306
3,3-dimethyl-2-[(4-propylphenoxy)methyl]butane-1-sulfonamide
CID 65015481
2-(4-ethylphenoxy)-1-(4-propylphenyl)ethanamine
CID 43094130
1-(2-bromo-3,3,3-trifluoropropoxy)-4-propylbenzene
CID 64757902
1-(3-ethylphenoxy)-3,3-dimethylbutan-2-amine
CID 43211628
2,2-dimethyl-1-(4-propylphenyl)propan-1-amine
CID 43198125
1-(4-methoxyphenyl)-4,4-dimethylpentan-3-amine
CID 64503950
4,4,4-trifluoro-1-(4-propylphenoxy)butan-2-ol
CID 167828364
1-[2-(bromomethyl)-3,3-dimethylbutoxy]-4-butylbenzene
CID 115492516
N-methyl-1-(4-propylphenoxy)pentan-2-amine
CID 62548560
N-ethyl-2-methyl-3-(4-propylphenoxy)propan-1-amine
CID 62549610
1-[(2-methylpropan-2-yl)oxy]-4-propylbenzene
CID 19097569

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-(4-propylphenoxy)butan-2-amine?
The IUPAC name of 3,3-dimethyl-1-(4-propylphenoxy)butan-2-amine (CID 62548208) is 3,3-dimethyl-1-(4-propylphenoxy)butan-2-amine.
What is the SMILES notation for 3,3-dimethyl-1-(4-propylphenoxy)butan-2-amine?
The canonical SMILES for 3,3-dimethyl-1-(4-propylphenoxy)butan-2-amine is CCCc1ccc(OCC(N)C(C)(C)C)cc1.
What is the InChIKey of 3,3-dimethyl-1-(4-propylphenoxy)butan-2-amine?
The InChIKey is SWHSBVYVRIPXLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-5-6-12-7-9-13(10-8-12)17-11-14(16)15(2,3)4/h7-10,14H,5-6,11,16H2,1-4H3.
What are the key properties of 3,3-dimethyl-1-(4-propylphenoxy)butan-2-amine?
3,3-dimethyl-1-(4-propylphenoxy)butan-2-amine has a molecular weight of 235.37 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-(4-propylphenoxy)butan-2-amine is sourced from PubChem (CID 62548208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).