N-(cyclobutylmethyl)-4-propan-2-yloxyaniline

C14H21NO — CID 65458952

IUPACN-(cyclobutylmethyl)-4-propan-2-yloxyaniline
SMILESCC(C)Oc1ccc(NCC2CCC2)cc1
InChIInChI=1S/C14H21NO/c1-11(2)16-14-8-6-13(7-9-14)15-10-12-4-3-5-12/h6-9,11-12,15H,3-5,10H2,1-2H3
InChIKeyKBLYTVHFUSYOBT-UHFFFAOYSA-N
MW219.33 g/mol
LogP3.69
Rot. Bonds5

About N-(cyclobutylmethyl)-4-propan-2-yloxyaniline

N-(cyclobutylmethyl)-4-propan-2-yloxyaniline (PubChem CID 65458952) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is N-(cyclobutylmethyl)-4-propan-2-yloxyaniline.

Molecular Properties

Compound NameN-(cyclobutylmethyl)-4-propan-2-yloxyaniline
PubChem CID65458952
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC NameN-(cyclobutylmethyl)-4-propan-2-yloxyaniline
SMILESCC(C)Oc1ccc(NCC2CCC2)cc1
InChIInChI=1S/C14H21NO/c1-11(2)16-14-8-6-13(7-9-14)15-10-12-4-3-5-12/h6-9,11-12,15H,3-5,10H2,1-2H3
InChIKeyKBLYTVHFUSYOBT-UHFFFAOYSA-N
XLogP3.69
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 53.69
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-(cyclohexylmethyl)-4-propan-2-yloxyaniline
CID 28969668
4-butan-2-yloxy-N-(cyclohexylmethyl)aniline
CID 54802779
N-(cyclohexylmethyl)-4-(3-methylbutoxy)aniline
CID 54799314
N-(1-cyclopropylpropan-2-yl)-4-propan-2-yloxyaniline
CID 115917457
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-4-propan-2-yloxyaniline
CID 62064376
3-N-(cyclopropylmethyl)-5-propan-2-yloxybenzene-1,3-diamine
CID 80726467
N-(dicyclopropylmethyl)-4-propan-2-yloxyaniline
CID 43173366
2-cyclopentyl-1-(4-propan-2-yloxyphenyl)ethanol
CID 61086888
1-(4-propan-2-yloxyanilino)propan-2-ol
CID 60884115
4-(cyclooctylmethylamino)phenol
CID 53404225
4-methoxy-N-(piperidin-3-ylmethyl)aniline
CID 79018605
N-cyclopentyloxy-1-(4-propan-2-yloxyphenyl)methanamine
CID 83228810

Frequently Asked Questions

What is the IUPAC name of N-(cyclobutylmethyl)-4-propan-2-yloxyaniline?
The IUPAC name of N-(cyclobutylmethyl)-4-propan-2-yloxyaniline (CID 65458952) is N-(cyclobutylmethyl)-4-propan-2-yloxyaniline.
What is the SMILES notation for N-(cyclobutylmethyl)-4-propan-2-yloxyaniline?
The canonical SMILES for N-(cyclobutylmethyl)-4-propan-2-yloxyaniline is CC(C)Oc1ccc(NCC2CCC2)cc1.
What is the InChIKey of N-(cyclobutylmethyl)-4-propan-2-yloxyaniline?
The InChIKey is KBLYTVHFUSYOBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-11(2)16-14-8-6-13(7-9-14)15-10-12-4-3-5-12/h6-9,11-12,15H,3-5,10H2,1-2H3.
What are the key properties of N-(cyclobutylmethyl)-4-propan-2-yloxyaniline?
N-(cyclobutylmethyl)-4-propan-2-yloxyaniline has a molecular weight of 219.33 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclobutylmethyl)-4-propan-2-yloxyaniline is sourced from PubChem (CID 65458952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).