3-methyl-2-(2-phenylethoxy)-N-propan-2-ylbutan-1-amine

C16H27NO — CID 115003011

IUPAC3-methyl-2-(2-phenylethoxy)-N-propan-2-ylbutan-1-amine
SMILESCC(C)NCC(OCCc1ccccc1)C(C)C
InChIInChI=1S/C16H27NO/c1-13(2)16(12-17-14(3)4)18-11-10-15-8-6-5-7-9-15/h5-9,13-14,16-17H,10-12H2,1-4H3
InChIKeyBZJOEOGAQFTQAT-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.27
Rot. Bonds8

About 3-methyl-2-(2-phenylethoxy)-N-propan-2-ylbutan-1-amine

3-methyl-2-(2-phenylethoxy)-N-propan-2-ylbutan-1-amine (PubChem CID 115003011) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is 3-methyl-2-(2-phenylethoxy)-N-propan-2-ylbutan-1-amine.

Molecular Properties

Compound Name3-methyl-2-(2-phenylethoxy)-N-propan-2-ylbutan-1-amine
PubChem CID115003011
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name3-methyl-2-(2-phenylethoxy)-N-propan-2-ylbutan-1-amine
SMILESCC(C)NCC(OCCc1ccccc1)C(C)C
InChIInChI=1S/C16H27NO/c1-13(2)16(12-17-14(3)4)18-11-10-15-8-6-5-7-9-15/h5-9,13-14,16-17H,10-12H2,1-4H3
InChIKeyBZJOEOGAQFTQAT-UHFFFAOYSA-N
XLogP3.27
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,3-dimethyl-2-(2-phenylethoxy)butan-1-amine
CID 115001394
2-(2-phenylethoxy)-N-propan-2-ylbutan-1-amine
CID 115002161
N-[3-methyl-2-(2-phenylethoxy)butyl]cyclopropanamine
CID 114999821
1-(2-phenylethoxy)-3-(propan-2-ylamino)propan-2-ol
CID 14223890
N-[2-(2-phenylethoxy)propyl]butan-2-amine
CID 115002170
3-methoxy-2-(3-phenylpropoxy)-N-propan-2-ylpropan-1-amine
CID 103228598
2-[1-[1-(2-phenylethoxy)ethoxy]ethoxy]ethylbenzene
CID 68855173
1-(2-phenylethoxy)propane-1,2-diol
CID 140994820
2-tert-butyl-5-phenyl-N-propan-2-ylpentan-1-amine
CID 83138928
3-phenyl-N-propan-2-ylpropan-1-amine
CID 11412689
2-[2-[di(propan-2-yl)amino]ethoxy]-3-methyl-N-propan-2-ylbutan-1-amine
CID 115505833
2-phenylmethoxy-N-propan-2-ylbutan-1-amine
CID 62446151

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(2-phenylethoxy)-N-propan-2-ylbutan-1-amine?
The IUPAC name of 3-methyl-2-(2-phenylethoxy)-N-propan-2-ylbutan-1-amine (CID 115003011) is 3-methyl-2-(2-phenylethoxy)-N-propan-2-ylbutan-1-amine.
What is the SMILES notation for 3-methyl-2-(2-phenylethoxy)-N-propan-2-ylbutan-1-amine?
The canonical SMILES for 3-methyl-2-(2-phenylethoxy)-N-propan-2-ylbutan-1-amine is CC(C)NCC(OCCc1ccccc1)C(C)C.
What is the InChIKey of 3-methyl-2-(2-phenylethoxy)-N-propan-2-ylbutan-1-amine?
The InChIKey is BZJOEOGAQFTQAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-13(2)16(12-17-14(3)4)18-11-10-15-8-6-5-7-9-15/h5-9,13-14,16-17H,10-12H2,1-4H3.
What are the key properties of 3-methyl-2-(2-phenylethoxy)-N-propan-2-ylbutan-1-amine?
3-methyl-2-(2-phenylethoxy)-N-propan-2-ylbutan-1-amine has a molecular weight of 249.40 g/mol, XLogP of 3.27, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(2-phenylethoxy)-N-propan-2-ylbutan-1-amine is sourced from PubChem (CID 115003011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).