N,N-dimethyl-4-pentan-2-yloxyaniline

C13H21NO — CID 143580659

IUPACN,N-dimethyl-4-pentan-2-yloxyaniline
SMILESCCCC(C)Oc1ccc(N(C)C)cc1
InChIInChI=1S/C13H21NO/c1-5-6-11(2)15-13-9-7-12(8-10-13)14(3)4/h7-11H,5-6H2,1-4H3
InChIKeyIDKLLCHASAXMNE-UHFFFAOYSA-N
MW207.32 g/mol
LogP3.32
Rot. Bonds5

About N,N-dimethyl-4-pentan-2-yloxyaniline

N,N-dimethyl-4-pentan-2-yloxyaniline (PubChem CID 143580659) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is N,N-dimethyl-4-pentan-2-yloxyaniline.

Molecular Properties

Compound NameN,N-dimethyl-4-pentan-2-yloxyaniline
PubChem CID143580659
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC NameN,N-dimethyl-4-pentan-2-yloxyaniline
SMILESCCCC(C)Oc1ccc(N(C)C)cc1
InChIInChI=1S/C13H21NO/c1-5-6-11(2)15-13-9-7-12(8-10-13)14(3)4/h7-11H,5-6H2,1-4H3
InChIKeyIDKLLCHASAXMNE-UHFFFAOYSA-N
XLogP3.32
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

1-(4-pentan-2-yloxyphenyl)propan-2-amine
CID 107885477
1-(2-bromoethyl)-4-[(2R)-pentan-2-yl]oxybenzene
CID 67001827
N,N-dimethyl-4-(4-propan-2-yloxyphenyl)aniline
CID 159991714
2-[4-[(2R)-pentan-2-yl]oxyphenyl]acetic acid
CID 124632287
4-pentan-2-yloxybenzohydrazide
CID 57267352
4-ethoxy-N,N-dimethylaniline
CID 3624890
2-methyl-4-pentan-2-yloxyaniline
CID 102980398
1-[(2R)-octan-2-yl]oxy-4-[4-[(2R)-octan-2-yl]oxyphenyl]benzene
CID 139721951
N-(4-bromophenyl)-N-(4-decan-2-yloxyphenyl)-4-methoxyaniline
CID 123513579
4-heptan-2-yloxybenzenethiol
CID 19843806
1-methyl-4-tetradecan-2-yloxybenzene
CID 54164810
1-(2-chloro-4-pentan-2-yloxyphenyl)ethanamine
CID 102982374

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-pentan-2-yloxyaniline?
The IUPAC name of N,N-dimethyl-4-pentan-2-yloxyaniline (CID 143580659) is N,N-dimethyl-4-pentan-2-yloxyaniline.
What is the SMILES notation for N,N-dimethyl-4-pentan-2-yloxyaniline?
The canonical SMILES for N,N-dimethyl-4-pentan-2-yloxyaniline is CCCC(C)Oc1ccc(N(C)C)cc1.
What is the InChIKey of N,N-dimethyl-4-pentan-2-yloxyaniline?
The InChIKey is IDKLLCHASAXMNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-5-6-11(2)15-13-9-7-12(8-10-13)14(3)4/h7-11H,5-6H2,1-4H3.
What are the key properties of N,N-dimethyl-4-pentan-2-yloxyaniline?
N,N-dimethyl-4-pentan-2-yloxyaniline has a molecular weight of 207.32 g/mol, XLogP of 3.32, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-pentan-2-yloxyaniline is sourced from PubChem (CID 143580659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).