N-[2-(2-phenylethoxy)propyl]butan-2-amine

C15H25NO — CID 115002170

IUPACN-[2-(2-phenylethoxy)propyl]butan-2-amine
SMILESCCC(C)NCC(C)OCCc1ccccc1
InChIInChI=1S/C15H25NO/c1-4-13(2)16-12-14(3)17-11-10-15-8-6-5-7-9-15/h5-9,13-14,16H,4,10-12H2,1-3H3
InChIKeyMWKMVMWVLCDRNG-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.02
Rot. Bonds8

About N-[2-(2-phenylethoxy)propyl]butan-2-amine

N-[2-(2-phenylethoxy)propyl]butan-2-amine (PubChem CID 115002170) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is N-[2-(2-phenylethoxy)propyl]butan-2-amine.

Molecular Properties

Compound NameN-[2-(2-phenylethoxy)propyl]butan-2-amine
PubChem CID115002170
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC NameN-[2-(2-phenylethoxy)propyl]butan-2-amine
SMILESCCC(C)NCC(C)OCCc1ccccc1
InChIInChI=1S/C15H25NO/c1-4-13(2)16-12-14(3)17-11-10-15-8-6-5-7-9-15/h5-9,13-14,16H,4,10-12H2,1-3H3
InChIKeyMWKMVMWVLCDRNG-UHFFFAOYSA-N
XLogP3.02
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-phenylethoxy)-N-propan-2-ylbutan-1-amine
CID 115002161
N-(2-phenoxypropyl)butan-2-amine
CID 54802133
3-methyl-2-(2-phenylethoxy)-N-propan-2-ylbutan-1-amine
CID 115003011
N-[2-[(2-chlorophenyl)methoxy]propyl]butan-2-amine
CID 62565595
1-(2-phenylethoxy)propane-1,2-diol
CID 140994820
3-(2-phenylethoxy)butanoic acid
CID 43536152
2-[1-[1-(2-phenylethoxy)ethoxy]ethoxy]ethylbenzene
CID 68855173
N,3-dimethyl-2-(2-phenylethoxy)butan-1-amine
CID 115001394
N-[2-(furan-2-ylmethoxy)propyl]butan-2-amine
CID 62564797
2-(1-butoxypropoxy)ethylbenzene
CID 71445945
N-methyl-3-(2-phenylethoxy)pentan-1-amine
CID 142009741
N-butan-2-yl-N'-methyl-N'-(2-phenylethyl)ethane-1,2-diamine
CID 65487888

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-phenylethoxy)propyl]butan-2-amine?
The IUPAC name of N-[2-(2-phenylethoxy)propyl]butan-2-amine (CID 115002170) is N-[2-(2-phenylethoxy)propyl]butan-2-amine.
What is the SMILES notation for N-[2-(2-phenylethoxy)propyl]butan-2-amine?
The canonical SMILES for N-[2-(2-phenylethoxy)propyl]butan-2-amine is CCC(C)NCC(C)OCCc1ccccc1.
What is the InChIKey of N-[2-(2-phenylethoxy)propyl]butan-2-amine?
The InChIKey is MWKMVMWVLCDRNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-4-13(2)16-12-14(3)17-11-10-15-8-6-5-7-9-15/h5-9,13-14,16H,4,10-12H2,1-3H3.
What are the key properties of N-[2-(2-phenylethoxy)propyl]butan-2-amine?
N-[2-(2-phenylethoxy)propyl]butan-2-amine has a molecular weight of 235.37 g/mol, XLogP of 3.02, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-phenylethoxy)propyl]butan-2-amine is sourced from PubChem (CID 115002170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).