N-propan-2-yl-4-[2-(propan-2-ylamino)ethoxy]aniline

C14H24N2O — CID 176845634

IUPACN-propan-2-yl-4-[2-(propan-2-ylamino)ethoxy]aniline
SMILESCC(C)NCCOc1ccc(NC(C)C)cc1
InChIInChI=1S/C14H24N2O/c1-11(2)15-9-10-17-14-7-5-13(6-8-14)16-12(3)4/h5-8,11-12,15-16H,9-10H2,1-4H3
InChIKeyBBDMBROYLJSGLV-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.88
Rot. Bonds7

About N-propan-2-yl-4-[2-(propan-2-ylamino)ethoxy]aniline

N-propan-2-yl-4-[2-(propan-2-ylamino)ethoxy]aniline (PubChem CID 176845634) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is N-propan-2-yl-4-[2-(propan-2-ylamino)ethoxy]aniline.

Molecular Properties

Compound NameN-propan-2-yl-4-[2-(propan-2-ylamino)ethoxy]aniline
PubChem CID176845634
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC NameN-propan-2-yl-4-[2-(propan-2-ylamino)ethoxy]aniline
SMILESCC(C)NCCOc1ccc(NC(C)C)cc1
InChIInChI=1S/C14H24N2O/c1-11(2)15-9-10-17-14-7-5-13(6-8-14)16-12(3)4/h5-8,11-12,15-16H,9-10H2,1-4H3
InChIKeyBBDMBROYLJSGLV-UHFFFAOYSA-N
XLogP2.88
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-propan-2-yl-4-propoxyaniline
CID 21311809
N-[2-(4-methylphenoxy)ethyl]propan-2-amine
CID 17178065
N-[2-[4-(trifluoromethyl)phenoxy]ethyl]propan-2-amine
CID 29080754
N-(4-butoxyphenyl)-N'-propan-2-ylethane-1,2-diamine
CID 54809763
N-[2-[4-(2-methoxyethyl)phenoxy]ethyl]propan-2-amine
CID 14694037
N-[2-[2-(4-methoxyphenoxy)ethoxy]ethyl]propan-2-amine
CID 2280828
N-propan-2-yl-4-(2,2,2-trifluoroethoxy)aniline
CID 43425654
N-[2-[2-(4-propan-2-ylphenoxy)ethoxy]ethyl]propan-2-amine
CID 2276712
3-(4-phenylmethoxyphenoxy)-N-propan-2-ylpropan-1-amine
CID 13338480
2-methyl-1-[4-[2-(propan-2-ylamino)ethoxy]phenyl]propan-1-one;2-methyl-1-[4-(propan-2-ylamino)phenyl]propan-1-one;3-methyl-1-[4-(propan-2-ylamino)piperidin-1-yl]butan-2-one
CID 159856047
N-(5-methylhexan-2-yl)-4-[4-[4-(5-methylhexan-2-ylamino)phenoxy]butoxy]aniline
CID 70605379
N-[2-(6-bromonaphthalen-2-yl)oxyethyl]propan-2-amine;hydrochloride
CID 54595906

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-4-[2-(propan-2-ylamino)ethoxy]aniline?
The IUPAC name of N-propan-2-yl-4-[2-(propan-2-ylamino)ethoxy]aniline (CID 176845634) is N-propan-2-yl-4-[2-(propan-2-ylamino)ethoxy]aniline.
What is the SMILES notation for N-propan-2-yl-4-[2-(propan-2-ylamino)ethoxy]aniline?
The canonical SMILES for N-propan-2-yl-4-[2-(propan-2-ylamino)ethoxy]aniline is CC(C)NCCOc1ccc(NC(C)C)cc1.
What is the InChIKey of N-propan-2-yl-4-[2-(propan-2-ylamino)ethoxy]aniline?
The InChIKey is BBDMBROYLJSGLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-11(2)15-9-10-17-14-7-5-13(6-8-14)16-12(3)4/h5-8,11-12,15-16H,9-10H2,1-4H3.
What are the key properties of N-propan-2-yl-4-[2-(propan-2-ylamino)ethoxy]aniline?
N-propan-2-yl-4-[2-(propan-2-ylamino)ethoxy]aniline has a molecular weight of 236.36 g/mol, XLogP of 2.88, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-4-[2-(propan-2-ylamino)ethoxy]aniline is sourced from PubChem (CID 176845634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).