N-(3-methylpentan-2-yl)-4-propylaniline

C15H25N — CID 43096096

IUPACN-(3-methylpentan-2-yl)-4-propylaniline
SMILESCCCc1ccc(NC(C)C(C)CC)cc1
InChIInChI=1S/C15H25N/c1-5-7-14-8-10-15(11-9-14)16-13(4)12(3)6-2/h8-13,16H,5-7H2,1-4H3
InChIKeyLNCHGMHLTMNXHP-UHFFFAOYSA-N
MW219.37 g/mol
LogP4.49
Rot. Bonds6

About N-(3-methylpentan-2-yl)-4-propylaniline

N-(3-methylpentan-2-yl)-4-propylaniline (PubChem CID 43096096) has the molecular formula C15H25N and a molecular weight of 219.37 g/mol. Its IUPAC name is N-(3-methylpentan-2-yl)-4-propylaniline.

Molecular Properties

Compound NameN-(3-methylpentan-2-yl)-4-propylaniline
PubChem CID43096096
Molecular FormulaC15H25N
Molecular Weight219.37 g/mol
Exact Mass219.20
IUPAC NameN-(3-methylpentan-2-yl)-4-propylaniline
SMILESCCCc1ccc(NC(C)C(C)CC)cc1
InChIInChI=1S/C15H25N/c1-5-7-14-8-10-15(11-9-14)16-13(4)12(3)6-2/h8-13,16H,5-7H2,1-4H3
InChIKeyLNCHGMHLTMNXHP-UHFFFAOYSA-N
XLogP4.49
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.37
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-(3-methylpentan-2-yl)-4-propylaniline 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

N-(3-methylpentan-2-yl)-4-pentylaniline
CID 43103147
N-(3-methylpentan-2-yl)-4-propan-2-ylaniline
CID 43101164
2-[4-(3-methylpentan-2-ylamino)phenyl]acetamide
CID 43724019
N-(1-ethoxypropan-2-yl)-4-propylaniline
CID 115917220
N-(1-phenylethyl)-4-propylaniline
CID 43078217
N-(3-methylpentan-2-yl)-4-methylsulfonylaniline
CID 43201165
2-methyl-N-[4-(3-methylpentan-2-ylamino)phenyl]propanamide
CID 43683718
4-methyl-N-[1-(4-propylphenyl)ethyl]aniline
CID 43111793
N-(3-methylpentan-2-yl)-4-(trifluoromethoxy)aniline
CID 43095630
4-chloro-N-[1-(4-propylphenyl)ethyl]aniline
CID 43098857
2-[1-(4-propylanilino)ethyl]benzene-1,3-diol
CID 107710477
4-(3-methylpentan-2-ylamino)-N-propan-2-ylbenzamide
CID 54864938

Frequently Asked Questions

What is the IUPAC name of N-(3-methylpentan-2-yl)-4-propylaniline?
The IUPAC name of N-(3-methylpentan-2-yl)-4-propylaniline (CID 43096096) is N-(3-methylpentan-2-yl)-4-propylaniline.
What is the SMILES notation for N-(3-methylpentan-2-yl)-4-propylaniline?
The canonical SMILES for N-(3-methylpentan-2-yl)-4-propylaniline is CCCc1ccc(NC(C)C(C)CC)cc1.
What is the InChIKey of N-(3-methylpentan-2-yl)-4-propylaniline?
The InChIKey is LNCHGMHLTMNXHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N/c1-5-7-14-8-10-15(11-9-14)16-13(4)12(3)6-2/h8-13,16H,5-7H2,1-4H3.
What are the key properties of N-(3-methylpentan-2-yl)-4-propylaniline?
N-(3-methylpentan-2-yl)-4-propylaniline has a molecular weight of 219.37 g/mol, XLogP of 4.49, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylpentan-2-yl)-4-propylaniline is sourced from PubChem (CID 43096096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).