N-propan-2-yl-4-propoxyaniline

C12H19NO — CID 21311809

IUPACN-propan-2-yl-4-propoxyaniline
SMILESCCCOc1ccc(NC(C)C)cc1
InChIInChI=1S/C12H19NO/c1-4-9-14-12-7-5-11(6-8-12)13-10(2)3/h5-8,10,13H,4,9H2,1-3H3
InChIKeyFVTYOYTYCWBWRY-UHFFFAOYSA-N
MW193.29 g/mol
LogP3.30
Rot. Bonds5

About N-propan-2-yl-4-propoxyaniline

N-propan-2-yl-4-propoxyaniline (PubChem CID 21311809) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is N-propan-2-yl-4-propoxyaniline.

Molecular Properties

Compound NameN-propan-2-yl-4-propoxyaniline
PubChem CID21311809
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC NameN-propan-2-yl-4-propoxyaniline
SMILESCCCOc1ccc(NC(C)C)cc1
InChIInChI=1S/C12H19NO/c1-4-9-14-12-7-5-11(6-8-12)13-10(2)3/h5-8,10,13H,4,9H2,1-3H3
InChIKeyFVTYOYTYCWBWRY-UHFFFAOYSA-N
XLogP3.30
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 53.30
H-Bond Donors ≤ 51
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

N-butan-2-yl-4-propoxyaniline
CID 21311789
N-(1,1-difluoropropan-2-yl)-4-propoxyaniline
CID 102869475
N-propan-2-yl-4-[2-(propan-2-ylamino)ethoxy]aniline
CID 176845634
N-hexan-2-yl-4-propoxyaniline
CID 21311820
N-(1-ethylsulfonylpropan-2-yl)-4-propoxyaniline
CID 115922546
N-(4-methoxy-4-methylpentan-2-yl)-4-propoxyaniline
CID 62329167
N-hexan-2-yl-4-[3-[4-(hexan-2-ylamino)phenoxy]propoxy]aniline
CID 54014240
(2R)-1-(4-propoxyanilino)propan-2-ol
CID 106932070
ethyl 3-(4-propoxyanilino)butanoate
CID 62328151
1-propan-2-yl-3-(4-propoxyphenyl)thiourea
CID 113345148
3,4-dichloro-N-[1-(4-propoxyphenyl)ethyl]aniline
CID 43101196
N-butyl-2-(4-propoxyanilino)propanamide
CID 62329025

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-4-propoxyaniline?
The IUPAC name of N-propan-2-yl-4-propoxyaniline (CID 21311809) is N-propan-2-yl-4-propoxyaniline.
What is the SMILES notation for N-propan-2-yl-4-propoxyaniline?
The canonical SMILES for N-propan-2-yl-4-propoxyaniline is CCCOc1ccc(NC(C)C)cc1.
What is the InChIKey of N-propan-2-yl-4-propoxyaniline?
The InChIKey is FVTYOYTYCWBWRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-4-9-14-12-7-5-11(6-8-12)13-10(2)3/h5-8,10,13H,4,9H2,1-3H3.
What are the key properties of N-propan-2-yl-4-propoxyaniline?
N-propan-2-yl-4-propoxyaniline has a molecular weight of 193.29 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-4-propoxyaniline is sourced from PubChem (CID 21311809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).