2-methyl-4-(4-propoxyphenyl)butan-2-amine

C14H23NO — CID 98014307

IUPAC2-methyl-4-(4-propoxyphenyl)butan-2-amine
SMILESCCCOc1ccc(CCC(C)(C)N)cc1
InChIInChI=1S/C14H23NO/c1-4-11-16-13-7-5-12(6-8-13)9-10-14(2,3)15/h5-8H,4,9-11,15H2,1-3H3
InChIKeyBDVNUWGTDQAXPZ-UHFFFAOYSA-N
MW221.34 g/mol
LogP3.15
Rot. Bonds6

About 2-methyl-4-(4-propoxyphenyl)butan-2-amine

2-methyl-4-(4-propoxyphenyl)butan-2-amine (PubChem CID 98014307) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 2-methyl-4-(4-propoxyphenyl)butan-2-amine.

Molecular Properties

Compound Name2-methyl-4-(4-propoxyphenyl)butan-2-amine
PubChem CID98014307
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name2-methyl-4-(4-propoxyphenyl)butan-2-amine
SMILESCCCOc1ccc(CCC(C)(C)N)cc1
InChIInChI=1S/C14H23NO/c1-4-11-16-13-7-5-12(6-8-13)9-10-14(2,3)15/h5-8H,4,9-11,15H2,1-3H3
InChIKeyBDVNUWGTDQAXPZ-UHFFFAOYSA-N
XLogP3.15
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 ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-methyl-4-(4-propoxyphenyl)butan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-butoxy-4-(3,3-dimethylbutyl)benzene
CID 167030877
4-(4-ethylphenoxy)-2-methylbutan-2-amine
CID 28917779
3-methyl-1-N-(4-propoxyphenyl)butane-1,3-diamine
CID 112753914
2-(4-propoxyphenyl)ethanamine;hydrochloride
CID 3043938
(2S)-2-amino-2-methyl-4-(4-nonoxyphenyl)butan-1-ol
CID 132916636
(2R)-2-amino-4-(4-heptoxyphenyl)-2-methylbutan-1-ol;hydrochloride
CID 45261292
2,2-dimethyl-5-(4-propylphenoxy)pentan-1-amine
CID 65255864
2-amino-2-[2-(4-tridecoxyphenyl)ethyl]propane-1,3-diol
CID 11223128
2-amino-2-methyl-6-(4-propylphenoxy)hexanenitrile
CID 55085639
2-amino-2-[2-(4-hexoxyphenyl)ethyl]propane-1,3-diol
CID 11483309
(4R)-4-amino-6-(4-heptoxyphenyl)-4-methylhexanoic acid
CID 11772019
2-amino-2-methyl-5-(4-propoxyphenoxy)pentan-1-ol
CID 64802925

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(4-propoxyphenyl)butan-2-amine?
The IUPAC name of 2-methyl-4-(4-propoxyphenyl)butan-2-amine (CID 98014307) is 2-methyl-4-(4-propoxyphenyl)butan-2-amine.
What is the SMILES notation for 2-methyl-4-(4-propoxyphenyl)butan-2-amine?
The canonical SMILES for 2-methyl-4-(4-propoxyphenyl)butan-2-amine is CCCOc1ccc(CCC(C)(C)N)cc1.
What is the InChIKey of 2-methyl-4-(4-propoxyphenyl)butan-2-amine?
The InChIKey is BDVNUWGTDQAXPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-4-11-16-13-7-5-12(6-8-13)9-10-14(2,3)15/h5-8H,4,9-11,15H2,1-3H3.
What are the key properties of 2-methyl-4-(4-propoxyphenyl)butan-2-amine?
2-methyl-4-(4-propoxyphenyl)butan-2-amine has a molecular weight of 221.34 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(4-propoxyphenyl)butan-2-amine is sourced from PubChem (CID 98014307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).