3-[2-(3-propan-2-yloxypropylamino)ethyl]aniline

C14H24N2O — CID 82257317

IUPAC3-[2-(3-propan-2-yloxypropylamino)ethyl]aniline
SMILESCC(C)OCCCNCCc1cccc(N)c1
InChIInChI=1S/C14H24N2O/c1-12(2)17-10-4-8-16-9-7-13-5-3-6-14(15)11-13/h3,5-6,11-12,16H,4,7-10,15H2,1-2H3
InChIKeyXADOYYNJZAQIED-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.22
Rot. Bonds8

About 3-[2-(3-propan-2-yloxypropylamino)ethyl]aniline

3-[2-(3-propan-2-yloxypropylamino)ethyl]aniline (PubChem CID 82257317) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 3-[2-(3-propan-2-yloxypropylamino)ethyl]aniline.

Molecular Properties

Compound Name3-[2-(3-propan-2-yloxypropylamino)ethyl]aniline
PubChem CID82257317
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name3-[2-(3-propan-2-yloxypropylamino)ethyl]aniline
SMILESCC(C)OCCCNCCc1cccc(N)c1
InChIInChI=1S/C14H24N2O/c1-12(2)17-10-4-8-16-9-7-13-5-3-6-14(15)11-13/h3,5-6,11-12,16H,4,7-10,15H2,1-2H3
InChIKeyXADOYYNJZAQIED-UHFFFAOYSA-N
XLogP2.22
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(2-phenylethyl)-3-propan-2-yloxypropan-1-amine;hydrochloride
CID 17207061
3-(3-aminophenyl)-N-(4-propan-2-yloxybutyl)propanamide
CID 106006137
3-[3-(2-methoxyethylamino)propyl]aniline
CID 115342052
3-[2-(2-methylbutylamino)ethyl]aniline
CID 65347855
N-[2-(3-phenylpropoxy)ethyl]-3-propan-2-yloxypropan-1-amine
CID 62585001
5-[3-(3-propan-2-yloxypropylamino)propyl]-2-propoxyaniline
CID 94759793
N-[2-[(3-bromophenyl)methoxy]ethyl]-3-propan-2-yloxypropan-1-amine
CID 82825503
N-[2-[(3-methoxyphenyl)methoxy]ethyl]-3-propan-2-yloxypropan-1-amine
CID 62565553
3-[3-(1-ethoxypropan-2-yloxy)propyl]aniline
CID 103488473
N-(2-phenoxyethyl)-3-propan-2-yloxypropan-1-amine
CID 60691183
N-[(3-aminophenyl)methyl]-2-propan-2-yloxyacetamide
CID 112601877
N-[[3-(difluoromethyl)phenyl]methyl]-4-propan-2-yloxybutan-1-amine
CID 106007636

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-propan-2-yloxypropylamino)ethyl]aniline?
The IUPAC name of 3-[2-(3-propan-2-yloxypropylamino)ethyl]aniline (CID 82257317) is 3-[2-(3-propan-2-yloxypropylamino)ethyl]aniline.
What is the SMILES notation for 3-[2-(3-propan-2-yloxypropylamino)ethyl]aniline?
The canonical SMILES for 3-[2-(3-propan-2-yloxypropylamino)ethyl]aniline is CC(C)OCCCNCCc1cccc(N)c1.
What is the InChIKey of 3-[2-(3-propan-2-yloxypropylamino)ethyl]aniline?
The InChIKey is XADOYYNJZAQIED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-12(2)17-10-4-8-16-9-7-13-5-3-6-14(15)11-13/h3,5-6,11-12,16H,4,7-10,15H2,1-2H3.
What are the key properties of 3-[2-(3-propan-2-yloxypropylamino)ethyl]aniline?
3-[2-(3-propan-2-yloxypropylamino)ethyl]aniline has a molecular weight of 236.36 g/mol, XLogP of 2.22, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-propan-2-yloxypropylamino)ethyl]aniline is sourced from PubChem (CID 82257317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).