N-tert-butyl-2-(2-propoxyphenoxy)butan-1-amine

C17H29NO2 — CID 62451264

IUPACN-tert-butyl-2-(2-propoxyphenoxy)butan-1-amine
SMILESCCCOc1ccccc1OC(CC)CNC(C)(C)C
InChIInChI=1S/C17H29NO2/c1-6-12-19-15-10-8-9-11-16(15)20-14(7-2)13-18-17(3,4)5/h8-11,14,18H,6-7,12-13H2,1-5H3
InChIKeyQINDHQRBSGIMIB-UHFFFAOYSA-N
MW279.42 g/mol
LogP4.02
Rot. Bonds8

About N-tert-butyl-2-(2-propoxyphenoxy)butan-1-amine

N-tert-butyl-2-(2-propoxyphenoxy)butan-1-amine (PubChem CID 62451264) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is N-tert-butyl-2-(2-propoxyphenoxy)butan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-2-(2-propoxyphenoxy)butan-1-amine
PubChem CID62451264
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC NameN-tert-butyl-2-(2-propoxyphenoxy)butan-1-amine
SMILESCCCOc1ccccc1OC(CC)CNC(C)(C)C
InChIInChI=1S/C17H29NO2/c1-6-12-19-15-10-8-9-11-16(15)20-14(7-2)13-18-17(3,4)5/h8-11,14,18H,6-7,12-13H2,1-5H3
InChIKeyQINDHQRBSGIMIB-UHFFFAOYSA-N
XLogP4.02
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 83046479
N-tert-butyl-2-(2,4-dichlorophenoxy)butan-1-amine
CID 63497352
2-(5-bromo-2-methylphenoxy)-N-tert-butylbutan-1-amine
CID 107285816
N-[3-methoxy-2-(2-propan-2-ylphenoxy)propyl]-2-methylpropan-2-amine
CID 103228403
N-[2-(2-ethoxyphenoxy)ethyl]-2-methylpropan-2-amine
CID 55070885
N-tert-butyl-2-phenoxypentan-1-amine
CID 83043967
N-ethyl-2-(2-propoxyphenoxy)ethanamine
CID 6459111
(2S)-N-[(1S)-1-(2-propoxyphenyl)ethyl]butan-2-amine
CID 100556071
N-(2-methylbutyl)-2-propoxyaniline
CID 43682211
N-tert-butyl-2-(3-chlorophenoxy)butan-1-amine
CID 62460087
N-(2-methylpropyl)-2-propoxyaniline
CID 43682255
N-[(1R)-1-(2-propoxyphenyl)ethyl]propan-2-amine
CID 100555774

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(2-propoxyphenoxy)butan-1-amine?
The IUPAC name of N-tert-butyl-2-(2-propoxyphenoxy)butan-1-amine (CID 62451264) is N-tert-butyl-2-(2-propoxyphenoxy)butan-1-amine.
What is the SMILES notation for N-tert-butyl-2-(2-propoxyphenoxy)butan-1-amine?
The canonical SMILES for N-tert-butyl-2-(2-propoxyphenoxy)butan-1-amine is CCCOc1ccccc1OC(CC)CNC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-(2-propoxyphenoxy)butan-1-amine?
The InChIKey is QINDHQRBSGIMIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2/c1-6-12-19-15-10-8-9-11-16(15)20-14(7-2)13-18-17(3,4)5/h8-11,14,18H,6-7,12-13H2,1-5H3.
What are the key properties of N-tert-butyl-2-(2-propoxyphenoxy)butan-1-amine?
N-tert-butyl-2-(2-propoxyphenoxy)butan-1-amine has a molecular weight of 279.42 g/mol, XLogP of 4.02, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(2-propoxyphenoxy)butan-1-amine is sourced from PubChem (CID 62451264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).