N-(3-phenylprop-2-ynyl)-4-propan-2-yloxyaniline

C18H19NO — CID 62340189

IUPACN-(3-phenylprop-2-ynyl)-4-propan-2-yloxyaniline
SMILESCC(C)Oc1ccc(NCC#Cc2ccccc2)cc1
InChIInChI=1S/C18H19NO/c1-15(2)20-18-12-10-17(11-13-18)19-14-6-9-16-7-4-3-5-8-16/h3-5,7-8,10-13,15,19H,14H2,1-2H3
InChIKeyNMZWKHBNZQQESM-UHFFFAOYSA-N
MW265.36 g/mol
LogP3.94
Rot. Bonds4

About N-(3-phenylprop-2-ynyl)-4-propan-2-yloxyaniline

N-(3-phenylprop-2-ynyl)-4-propan-2-yloxyaniline (PubChem CID 62340189) has the molecular formula C18H19NO and a molecular weight of 265.36 g/mol. Its IUPAC name is N-(3-phenylprop-2-ynyl)-4-propan-2-yloxyaniline.

Molecular Properties

Compound NameN-(3-phenylprop-2-ynyl)-4-propan-2-yloxyaniline
PubChem CID62340189
Molecular FormulaC18H19NO
Molecular Weight265.36 g/mol
Exact Mass265.15
IUPAC NameN-(3-phenylprop-2-ynyl)-4-propan-2-yloxyaniline
SMILESCC(C)Oc1ccc(NCC#Cc2ccccc2)cc1
InChIInChI=1S/C18H19NO/c1-15(2)20-18-12-10-17(11-13-18)19-14-6-9-16-7-4-3-5-8-16/h3-5,7-8,10-13,15,19H,14H2,1-2H3
InChIKeyNMZWKHBNZQQESM-UHFFFAOYSA-N
XLogP3.94
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(difluoromethoxy)-N-(3-phenylprop-2-ynyl)aniline
CID 62340699
N-(3-phenylprop-2-ynyl)-4-(trifluoromethoxy)aniline
CID 62339511
N-benzyl-4-propan-2-yloxyaniline
CID 28969524
3,5-dimethoxy-N-(3-phenylprop-2-ynyl)aniline
CID 62339169
4-(3-phenylprop-2-ynylamino)benzoic acid
CID 13017537
N-(2-phenylethyl)-4-propan-2-yloxyaniline
CID 28969676
N-(2-phenylsulfanylethyl)-4-propan-2-yloxyaniline
CID 79213159
(4-propan-2-yloxyphenyl) 3-phenylprop-2-ynoate
CID 141333839
4-bromo-3-methoxy-N-(3-phenylprop-2-ynyl)aniline
CID 82867360
2-(4-propan-2-yloxyanilino)acetic acid
CID 28969819
N-ethoxy-3-phenylprop-2-yn-1-amine
CID 64975006
1-(4-propan-2-yloxyanilino)propan-2-ol
CID 60884115

Frequently Asked Questions

What is the IUPAC name of N-(3-phenylprop-2-ynyl)-4-propan-2-yloxyaniline?
The IUPAC name of N-(3-phenylprop-2-ynyl)-4-propan-2-yloxyaniline (CID 62340189) is N-(3-phenylprop-2-ynyl)-4-propan-2-yloxyaniline.
What is the SMILES notation for N-(3-phenylprop-2-ynyl)-4-propan-2-yloxyaniline?
The canonical SMILES for N-(3-phenylprop-2-ynyl)-4-propan-2-yloxyaniline is CC(C)Oc1ccc(NCC#Cc2ccccc2)cc1.
What is the InChIKey of N-(3-phenylprop-2-ynyl)-4-propan-2-yloxyaniline?
The InChIKey is NMZWKHBNZQQESM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO/c1-15(2)20-18-12-10-17(11-13-18)19-14-6-9-16-7-4-3-5-8-16/h3-5,7-8,10-13,15,19H,14H2,1-2H3.
What are the key properties of N-(3-phenylprop-2-ynyl)-4-propan-2-yloxyaniline?
N-(3-phenylprop-2-ynyl)-4-propan-2-yloxyaniline has a molecular weight of 265.36 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-phenylprop-2-ynyl)-4-propan-2-yloxyaniline is sourced from PubChem (CID 62340189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).