(2S)-N-[3-(2-propan-2-yloxyphenoxy)propyl]butan-2-amine

C16H27NO2 — CID 2181189

IUPAC(2S)-N-[3-(2-propan-2-yloxyphenoxy)propyl]butan-2-amine
SMILESCC[C@H](C)NCCCOc1ccccc1OC(C)C
InChIInChI=1S/C16H27NO2/c1-5-14(4)17-11-8-12-18-15-9-6-7-10-16(15)19-13(2)3/h6-7,9-10,13-14,17H,5,8,11-12H2,1-4H3/t14-/m0/s1
InChIKeySWTVYLBHHVFUBF-AWEZNQCLSA-N
MW265.40 g/mol
LogP3.63
Rot. Bonds9

About (2S)-N-[3-(2-propan-2-yloxyphenoxy)propyl]butan-2-amine

(2S)-N-[3-(2-propan-2-yloxyphenoxy)propyl]butan-2-amine (PubChem CID 2181189) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is (2S)-N-[3-(2-propan-2-yloxyphenoxy)propyl]butan-2-amine.

Molecular Properties

Compound Name(2S)-N-[3-(2-propan-2-yloxyphenoxy)propyl]butan-2-amine
PubChem CID2181189
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name(2S)-N-[3-(2-propan-2-yloxyphenoxy)propyl]butan-2-amine
SMILESCC[C@H](C)NCCCOc1ccccc1OC(C)C
InChIInChI=1S/C16H27NO2/c1-5-14(4)17-11-8-12-18-15-9-6-7-10-16(15)19-13(2)3/h6-7,9-10,13-14,17H,5,8,11-12H2,1-4H3/t14-/m0/s1
InChIKeySWTVYLBHHVFUBF-AWEZNQCLSA-N
XLogP3.63
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(2R)-butan-2-yl]-4-(2-propan-2-yloxyphenoxy)butan-1-amine
CID 2183255
(2R)-N-[3-(2-bromophenoxy)propyl]butan-2-amine
CID 2182681
N-[2-(2-fluorophenoxy)ethyl]butan-2-amine
CID 2935869
N'-butan-2-yl-N-(2-propan-2-yloxyphenyl)ethane-1,2-diamine
CID 54808384
(2R)-N-[3-(4-chloronaphthalen-1-yl)oxypropyl]butan-2-amine
CID 2181440
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
4-(2-propan-2-yloxyphenoxy)butan-1-amine
CID 164512443
N-[2-(2-prop-2-enylphenoxy)ethyl]butan-2-amine
CID 2934658
(2S)-N-[3-(2,5-dichlorophenoxy)propyl]butan-2-amine
CID 2182170
1-methoxy-N-[2-(2-methoxyphenoxy)ethyl]propan-2-amine
CID 62572002
(2R)-N-[3-(4-bromo-2-chlorophenoxy)propyl]butan-2-amine
CID 2181982

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[3-(2-propan-2-yloxyphenoxy)propyl]butan-2-amine?
The IUPAC name of (2S)-N-[3-(2-propan-2-yloxyphenoxy)propyl]butan-2-amine (CID 2181189) is (2S)-N-[3-(2-propan-2-yloxyphenoxy)propyl]butan-2-amine.
What is the SMILES notation for (2S)-N-[3-(2-propan-2-yloxyphenoxy)propyl]butan-2-amine?
The canonical SMILES for (2S)-N-[3-(2-propan-2-yloxyphenoxy)propyl]butan-2-amine is CC[C@H](C)NCCCOc1ccccc1OC(C)C.
What is the InChIKey of (2S)-N-[3-(2-propan-2-yloxyphenoxy)propyl]butan-2-amine?
The InChIKey is SWTVYLBHHVFUBF-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H27NO2/c1-5-14(4)17-11-8-12-18-15-9-6-7-10-16(15)19-13(2)3/h6-7,9-10,13-14,17H,5,8,11-12H2,1-4H3/t14-/m0/s1.
What are the key properties of (2S)-N-[3-(2-propan-2-yloxyphenoxy)propyl]butan-2-amine?
(2S)-N-[3-(2-propan-2-yloxyphenoxy)propyl]butan-2-amine has a molecular weight of 265.40 g/mol, XLogP of 3.63, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[3-(2-propan-2-yloxyphenoxy)propyl]butan-2-amine is sourced from PubChem (CID 2181189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).