(2R)-N-[(3-ethoxyphenyl)methyl]butan-2-amine

C13H21NO — CID 40726178

IUPAC(2R)-N-[(3-ethoxyphenyl)methyl]butan-2-amine
SMILESCCOc1cccc(CN[C@H](C)CC)c1
InChIInChI=1S/C13H21NO/c1-4-11(3)14-10-12-7-6-8-13(9-12)15-5-2/h6-9,11,14H,4-5,10H2,1-3H3/t11-/m1/s1
InChIKeySZWHMRBUNNCIBJ-LLVKDONJSA-N
MW207.32 g/mol
LogP2.97
Rot. Bonds6

About (2R)-N-[(3-ethoxyphenyl)methyl]butan-2-amine

(2R)-N-[(3-ethoxyphenyl)methyl]butan-2-amine (PubChem CID 40726178) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is (2R)-N-[(3-ethoxyphenyl)methyl]butan-2-amine.

Molecular Properties

Compound Name(2R)-N-[(3-ethoxyphenyl)methyl]butan-2-amine
PubChem CID40726178
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name(2R)-N-[(3-ethoxyphenyl)methyl]butan-2-amine
SMILESCCOc1cccc(CN[C@H](C)CC)c1
InChIInChI=1S/C13H21NO/c1-4-11(3)14-10-12-7-6-8-13(9-12)15-5-2/h6-9,11,14H,4-5,10H2,1-3H3/t11-/m1/s1
InChIKeySZWHMRBUNNCIBJ-LLVKDONJSA-N
XLogP2.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-N-[(3-propan-2-yloxyphenyl)methyl]butan-2-amine
CID 39245134
(2S)-N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]butan-2-amine
CID 29186893
N-[(3-butan-2-yloxyphenyl)methyl]butan-2-amine
CID 54849222
(2S)-N-[[3-[(3-chlorophenyl)methoxy]phenyl]methyl]butan-2-amine
CID 51993520
(2R)-2-[(3-ethoxyphenyl)methylamino]butan-1-ol
CID 40727274
2-[(3-ethoxyphenyl)methylamino]propanoic acid
CID 61499824
(1R)-N-[(3-ethoxyphenyl)methyl]-1-(4-methylphenyl)ethanamine
CID 81348754
3-[(3-ethoxyphenyl)methylamino]-4-methylpentan-1-ol
CID 111469199
(2R)-N-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]butan-2-amine
CID 40726182
(1S)-N-[(3-ethoxyphenyl)methyl]-1-(furan-2-yl)ethanamine
CID 81402683
5-[1-[(3-ethoxyphenyl)methylamino]ethyl]benzene-1,3-diol
CID 107706023
N-[(3-ethoxyphenyl)methyl]-1-(1-methylpiperidin-4-yl)ethanamine
CID 60873726

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(3-ethoxyphenyl)methyl]butan-2-amine?
The IUPAC name of (2R)-N-[(3-ethoxyphenyl)methyl]butan-2-amine (CID 40726178) is (2R)-N-[(3-ethoxyphenyl)methyl]butan-2-amine.
What is the SMILES notation for (2R)-N-[(3-ethoxyphenyl)methyl]butan-2-amine?
The canonical SMILES for (2R)-N-[(3-ethoxyphenyl)methyl]butan-2-amine is CCOc1cccc(CN[C@H](C)CC)c1.
What is the InChIKey of (2R)-N-[(3-ethoxyphenyl)methyl]butan-2-amine?
The InChIKey is SZWHMRBUNNCIBJ-LLVKDONJSA-N. The full InChI is InChI=1S/C13H21NO/c1-4-11(3)14-10-12-7-6-8-13(9-12)15-5-2/h6-9,11,14H,4-5,10H2,1-3H3/t11-/m1/s1.
What are the key properties of (2R)-N-[(3-ethoxyphenyl)methyl]butan-2-amine?
(2R)-N-[(3-ethoxyphenyl)methyl]butan-2-amine has a molecular weight of 207.32 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(3-ethoxyphenyl)methyl]butan-2-amine is sourced from PubChem (CID 40726178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).