1-(4-pentan-2-yloxyphenyl)propan-2-amine

C14H23NO — CID 107885477

IUPAC1-(4-pentan-2-yloxyphenyl)propan-2-amine
SMILESCCCC(C)Oc1ccc(CC(C)N)cc1
InChIInChI=1S/C14H23NO/c1-4-5-12(3)16-14-8-6-13(7-9-14)10-11(2)15/h6-9,11-12H,4-5,10,15H2,1-3H3
InChIKeyWWJGNEXKUZUSPE-UHFFFAOYSA-N
MW221.34 g/mol
LogP3.14
Rot. Bonds6

About 1-(4-pentan-2-yloxyphenyl)propan-2-amine

1-(4-pentan-2-yloxyphenyl)propan-2-amine (PubChem CID 107885477) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 1-(4-pentan-2-yloxyphenyl)propan-2-amine.

Molecular Properties

Compound Name1-(4-pentan-2-yloxyphenyl)propan-2-amine
PubChem CID107885477
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name1-(4-pentan-2-yloxyphenyl)propan-2-amine
SMILESCCCC(C)Oc1ccc(CC(C)N)cc1
InChIInChI=1S/C14H23NO/c1-4-5-12(3)16-14-8-6-13(7-9-14)10-11(2)15/h6-9,11-12H,4-5,10,15H2,1-3H3
InChIKeyWWJGNEXKUZUSPE-UHFFFAOYSA-N
XLogP3.14
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 ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(4-pentan-2-yloxyphenyl)propan-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-(2-bromoethyl)-4-[(2R)-pentan-2-yl]oxybenzene
CID 67001827
1-(4-propoxyphenyl)propan-2-amine;hydrochloride
CID 3027264
2-[4-[(2R)-pentan-2-yl]oxyphenyl]acetic acid
CID 124632287
1-[4-(2-butoxyethoxy)phenyl]propan-2-amine
CID 54956350
N,N-dimethyl-4-pentan-2-yloxyaniline
CID 143580659
1-(5-methoxy-2-pentan-2-yloxyphenyl)propan-2-amine
CID 107885471
1-(3-methyl-2-pentan-2-yloxyphenyl)propan-2-amine
CID 107885578
1-(3-fluoro-2-pentan-2-yloxyphenyl)propan-2-amine
CID 114012797
4-pentan-2-yloxybenzohydrazide
CID 57267352
(1S)-1-(2-fluoro-4-pentan-2-yloxyphenyl)ethanamine
CID 107891175
1-(2-chloro-4-pentan-2-yloxyphenyl)ethanamine
CID 102982374
1-(5-pentan-2-yloxy-2-pyridinyl)butan-2-amine
CID 114012794

Frequently Asked Questions

What is the IUPAC name of 1-(4-pentan-2-yloxyphenyl)propan-2-amine?
The IUPAC name of 1-(4-pentan-2-yloxyphenyl)propan-2-amine (CID 107885477) is 1-(4-pentan-2-yloxyphenyl)propan-2-amine.
What is the SMILES notation for 1-(4-pentan-2-yloxyphenyl)propan-2-amine?
The canonical SMILES for 1-(4-pentan-2-yloxyphenyl)propan-2-amine is CCCC(C)Oc1ccc(CC(C)N)cc1.
What is the InChIKey of 1-(4-pentan-2-yloxyphenyl)propan-2-amine?
The InChIKey is WWJGNEXKUZUSPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-4-5-12(3)16-14-8-6-13(7-9-14)10-11(2)15/h6-9,11-12H,4-5,10,15H2,1-3H3.
What are the key properties of 1-(4-pentan-2-yloxyphenyl)propan-2-amine?
1-(4-pentan-2-yloxyphenyl)propan-2-amine has a molecular weight of 221.34 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-pentan-2-yloxyphenyl)propan-2-amine is sourced from PubChem (CID 107885477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).