(2S)-N-[(1S)-1-(2-propoxyphenyl)ethyl]butan-2-amine

C15H25NO — CID 100556071

IUPAC(2S)-N-[(1S)-1-(2-propoxyphenyl)ethyl]butan-2-amine
SMILESCCCOc1ccccc1[C@H](C)N[C@@H](C)CC
InChIInChI=1S/C15H25NO/c1-5-11-17-15-10-8-7-9-14(15)13(4)16-12(3)6-2/h7-10,12-13,16H,5-6,11H2,1-4H3/t12-,13-/m0/s1
InChIKeyBHSXCMDKMGYSIC-STQMWFEESA-N
MW235.37 g/mol
LogP3.92
Rot. Bonds7

About (2S)-N-[(1S)-1-(2-propoxyphenyl)ethyl]butan-2-amine

(2S)-N-[(1S)-1-(2-propoxyphenyl)ethyl]butan-2-amine (PubChem CID 100556071) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is (2S)-N-[(1S)-1-(2-propoxyphenyl)ethyl]butan-2-amine.

Molecular Properties

Compound Name(2S)-N-[(1S)-1-(2-propoxyphenyl)ethyl]butan-2-amine
PubChem CID100556071
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name(2S)-N-[(1S)-1-(2-propoxyphenyl)ethyl]butan-2-amine
SMILESCCCOc1ccccc1[C@H](C)N[C@@H](C)CC
InChIInChI=1S/C15H25NO/c1-5-11-17-15-10-8-7-9-14(15)13(4)16-12(3)6-2/h7-10,12-13,16H,5-6,11H2,1-4H3/t12-,13-/m0/s1
InChIKeyBHSXCMDKMGYSIC-STQMWFEESA-N
XLogP3.92
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1R)-1-(2-propoxyphenyl)ethyl]propan-2-amine
CID 100555774
2-[1-(butan-2-ylamino)ethyl]aniline
CID 79688173
1-(2-propoxyphenyl)ethanol
CID 43503976
(2S)-2-[1-(2-ethoxyphenyl)ethylamino]butan-1-ol
CID 104980453
ethyl 2-(butan-2-ylamino)-2-(2-ethoxyphenyl)acetate
CID 61026398
1-(3-chlorobutan-2-yl)-2-propoxybenzene
CID 104662450
(1R)-2-methyl-1-(2-propoxyphenyl)propan-1-amine;hydrochloride
CID 175653806
N-methyl-1-[2-(2-propoxyphenyl)phenyl]ethanamine
CID 104660894
3-methyl-2-(2-propoxyphenyl)butanoic acid
CID 104662401
N-[(1S)-1-(2-bromophenyl)ethyl]-1-(2-ethoxyphenyl)ethanamine
CID 81379133
3-[1-(2-ethoxyphenyl)ethylamino]-4-methoxybutan-1-ol
CID 103785533
N-[1-(2-ethoxyphenyl)ethyl]-1-methoxy-3-methylbutan-2-amine
CID 65050188

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(1S)-1-(2-propoxyphenyl)ethyl]butan-2-amine?
The IUPAC name of (2S)-N-[(1S)-1-(2-propoxyphenyl)ethyl]butan-2-amine (CID 100556071) is (2S)-N-[(1S)-1-(2-propoxyphenyl)ethyl]butan-2-amine.
What is the SMILES notation for (2S)-N-[(1S)-1-(2-propoxyphenyl)ethyl]butan-2-amine?
The canonical SMILES for (2S)-N-[(1S)-1-(2-propoxyphenyl)ethyl]butan-2-amine is CCCOc1ccccc1[C@H](C)N[C@@H](C)CC.
What is the InChIKey of (2S)-N-[(1S)-1-(2-propoxyphenyl)ethyl]butan-2-amine?
The InChIKey is BHSXCMDKMGYSIC-STQMWFEESA-N. The full InChI is InChI=1S/C15H25NO/c1-5-11-17-15-10-8-7-9-14(15)13(4)16-12(3)6-2/h7-10,12-13,16H,5-6,11H2,1-4H3/t12-,13-/m0/s1.
What are the key properties of (2S)-N-[(1S)-1-(2-propoxyphenyl)ethyl]butan-2-amine?
(2S)-N-[(1S)-1-(2-propoxyphenyl)ethyl]butan-2-amine has a molecular weight of 235.37 g/mol, XLogP of 3.92, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(1S)-1-(2-propoxyphenyl)ethyl]butan-2-amine is sourced from PubChem (CID 100556071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).