N-[(2R)-butan-2-yl]-4-(2-propan-2-yloxyphenoxy)butan-1-amine

C17H29NO2 — CID 2183255

IUPACN-[(2R)-butan-2-yl]-4-(2-propan-2-yloxyphenoxy)butan-1-amine
SMILESCC[C@@H](C)NCCCCOc1ccccc1OC(C)C
InChIInChI=1S/C17H29NO2/c1-5-15(4)18-12-8-9-13-19-16-10-6-7-11-17(16)20-14(2)3/h6-7,10-11,14-15,18H,5,8-9,12-13H2,1-4H3/t15-/m1/s1
InChIKeyZTFKGWCEPVBHRI-OAHLLOKOSA-N
MW279.42 g/mol
LogP4.02
Rot. Bonds10

About N-[(2R)-butan-2-yl]-4-(2-propan-2-yloxyphenoxy)butan-1-amine

N-[(2R)-butan-2-yl]-4-(2-propan-2-yloxyphenoxy)butan-1-amine (PubChem CID 2183255) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is N-[(2R)-butan-2-yl]-4-(2-propan-2-yloxyphenoxy)butan-1-amine.

Molecular Properties

Compound NameN-[(2R)-butan-2-yl]-4-(2-propan-2-yloxyphenoxy)butan-1-amine
PubChem CID2183255
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC NameN-[(2R)-butan-2-yl]-4-(2-propan-2-yloxyphenoxy)butan-1-amine
SMILESCC[C@@H](C)NCCCCOc1ccccc1OC(C)C
InChIInChI=1S/C17H29NO2/c1-5-15(4)18-12-8-9-13-19-16-10-6-7-11-17(16)20-14(2)3/h6-7,10-11,14-15,18H,5,8-9,12-13H2,1-4H3/t15-/m1/s1
InChIKeyZTFKGWCEPVBHRI-OAHLLOKOSA-N
XLogP4.02
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
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

Computed Properties (RDKit)

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

Analyze N-[(2R)-butan-2-yl]-4-(2-propan-2-yloxyphenoxy)butan-1-amine with MolForge

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Related Compounds

(2S)-N-[3-(2-propan-2-yloxyphenoxy)propyl]butan-2-amine
CID 2181189
N-[(2S)-butan-2-yl]-4-(2-prop-2-enylphenoxy)butan-1-amine
CID 2182521
N-[(2R)-butan-2-yl]-4-(2-prop-2-enylphenoxy)butan-1-amine
CID 2182519
(2R)-N-[3-(2-bromophenoxy)propyl]butan-2-amine
CID 2182681
N'-butan-2-yl-N-(2-propan-2-yloxyphenyl)ethane-1,2-diamine
CID 54808384
4-(2-propan-2-yloxyphenoxy)butan-1-amine
CID 164512443
N-[2-(2-fluorophenoxy)ethyl]butan-2-amine
CID 2935869
N-[(2S)-butan-2-yl]-4-(4-propoxyphenoxy)butan-1-amine
CID 2183457
N-[(2S)-butan-2-yl]-4-(4-tert-butyl-2-methylphenoxy)butan-1-amine
CID 2181390
(2R)-N-[3-(4-chloronaphthalen-1-yl)oxypropyl]butan-2-amine
CID 2181440
N-[2-(2-prop-2-enylphenoxy)ethyl]butan-2-amine
CID 2934658
N-butan-2-yl-4-(2,5-dimethylphenoxy)butan-1-amine;oxalic acid
CID 2935414

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-butan-2-yl]-4-(2-propan-2-yloxyphenoxy)butan-1-amine?
The IUPAC name of N-[(2R)-butan-2-yl]-4-(2-propan-2-yloxyphenoxy)butan-1-amine (CID 2183255) is N-[(2R)-butan-2-yl]-4-(2-propan-2-yloxyphenoxy)butan-1-amine.
What is the SMILES notation for N-[(2R)-butan-2-yl]-4-(2-propan-2-yloxyphenoxy)butan-1-amine?
The canonical SMILES for N-[(2R)-butan-2-yl]-4-(2-propan-2-yloxyphenoxy)butan-1-amine is CC[C@@H](C)NCCCCOc1ccccc1OC(C)C.
What is the InChIKey of N-[(2R)-butan-2-yl]-4-(2-propan-2-yloxyphenoxy)butan-1-amine?
The InChIKey is ZTFKGWCEPVBHRI-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H29NO2/c1-5-15(4)18-12-8-9-13-19-16-10-6-7-11-17(16)20-14(2)3/h6-7,10-11,14-15,18H,5,8-9,12-13H2,1-4H3/t15-/m1/s1.
What are the key properties of N-[(2R)-butan-2-yl]-4-(2-propan-2-yloxyphenoxy)butan-1-amine?
N-[(2R)-butan-2-yl]-4-(2-propan-2-yloxyphenoxy)butan-1-amine has a molecular weight of 279.42 g/mol, XLogP of 4.02, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-butan-2-yl]-4-(2-propan-2-yloxyphenoxy)butan-1-amine is sourced from PubChem (CID 2183255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).