2-cyclopropyl-2-methyl-4-phenoxy-N-propylbutan-1-amine

C17H27NO — CID 83160593

IUPAC2-cyclopropyl-2-methyl-4-phenoxy-N-propylbutan-1-amine
SMILESCCCNCC(C)(CCOc1ccccc1)C1CC1
InChIInChI=1S/C17H27NO/c1-3-12-18-14-17(2,15-9-10-15)11-13-19-16-7-5-4-6-8-16/h4-8,15,18H,3,9-14H2,1-2H3
InChIKeyITHFYSDXASXUDD-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.87
Rot. Bonds9

About 2-cyclopropyl-2-methyl-4-phenoxy-N-propylbutan-1-amine

2-cyclopropyl-2-methyl-4-phenoxy-N-propylbutan-1-amine (PubChem CID 83160593) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 2-cyclopropyl-2-methyl-4-phenoxy-N-propylbutan-1-amine.

Molecular Properties

Compound Name2-cyclopropyl-2-methyl-4-phenoxy-N-propylbutan-1-amine
PubChem CID83160593
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name2-cyclopropyl-2-methyl-4-phenoxy-N-propylbutan-1-amine
SMILESCCCNCC(C)(CCOc1ccccc1)C1CC1
InChIInChI=1S/C17H27NO/c1-3-12-18-14-17(2,15-9-10-15)11-13-19-16-7-5-4-6-8-16/h4-8,15,18H,3,9-14H2,1-2H3
InChIKeyITHFYSDXASXUDD-UHFFFAOYSA-N
XLogP3.87
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-tert-butyl-2-cyclopropyl-2-methyl-4-phenoxybutan-1-amine
CID 83159980
4-butoxy-2-cyclopropyl-2-methyl-N-propylbutan-1-amine
CID 83160233
2-cyclopropyl-N-ethyl-4-(2-methoxyphenoxy)-2-methylbutan-1-amine
CID 83159411
4-(4-bromophenoxy)-2-cyclopropyl-2-methyl-N-(2-methylpropyl)butan-1-amine
CID 83150672
N-(2-phenoxyethyl)propan-1-amine
CID 6453152
2-cyclopropyl-2-methyl-4-(3-methylbutoxy)-N-propylbutan-1-amine
CID 83160505
2-cyclopropyl-2-methyl-N-propyl-4-thiophen-2-ylbutan-1-amine
CID 83159233
2-cyclopropyl-3-(4-ethylphenyl)-2-methyl-N-propylpropan-1-amine
CID 83159323
3-(2-phenoxyethoxy)-N-propylpropan-1-amine
CID 55133853
2-[2-(3-bromophenoxy)ethyl]-2-methyl-N-propylpentan-1-amine
CID 63509767
4-[2-cyclopropyl-2-methyl-3-(propylamino)propyl]phenol
CID 83159515
N-[[2-(3-phenoxypropyl)cyclohexyl]methyl]propan-1-amine
CID 81026864

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-methyl-4-phenoxy-N-propylbutan-1-amine?
The IUPAC name of 2-cyclopropyl-2-methyl-4-phenoxy-N-propylbutan-1-amine (CID 83160593) is 2-cyclopropyl-2-methyl-4-phenoxy-N-propylbutan-1-amine.
What is the SMILES notation for 2-cyclopropyl-2-methyl-4-phenoxy-N-propylbutan-1-amine?
The canonical SMILES for 2-cyclopropyl-2-methyl-4-phenoxy-N-propylbutan-1-amine is CCCNCC(C)(CCOc1ccccc1)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-methyl-4-phenoxy-N-propylbutan-1-amine?
The InChIKey is ITHFYSDXASXUDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-3-12-18-14-17(2,15-9-10-15)11-13-19-16-7-5-4-6-8-16/h4-8,15,18H,3,9-14H2,1-2H3.
What are the key properties of 2-cyclopropyl-2-methyl-4-phenoxy-N-propylbutan-1-amine?
2-cyclopropyl-2-methyl-4-phenoxy-N-propylbutan-1-amine has a molecular weight of 261.41 g/mol, XLogP of 3.87, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-methyl-4-phenoxy-N-propylbutan-1-amine is sourced from PubChem (CID 83160593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).