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

C14H23NO — CID 39245134

IUPAC(2R)-N-[(3-propan-2-yloxyphenyl)methyl]butan-2-amine
SMILESCC[C@@H](C)NCc1cccc(OC(C)C)c1
InChIInChI=1S/C14H23NO/c1-5-12(4)15-10-13-7-6-8-14(9-13)16-11(2)3/h6-9,11-12,15H,5,10H2,1-4H3/t12-/m1/s1
InChIKeyJWCMEHBEMTYSQB-GFCCVEGCSA-N
MW221.34 g/mol
LogP3.36
Rot. Bonds6

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

(2R)-N-[(3-propan-2-yloxyphenyl)methyl]butan-2-amine (PubChem CID 39245134) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is (2R)-N-[(3-propan-2-yloxyphenyl)methyl]butan-2-amine.

Molecular Properties

Compound Name(2R)-N-[(3-propan-2-yloxyphenyl)methyl]butan-2-amine
PubChem CID39245134
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name(2R)-N-[(3-propan-2-yloxyphenyl)methyl]butan-2-amine
SMILESCC[C@@H](C)NCc1cccc(OC(C)C)c1
InChIInChI=1S/C14H23NO/c1-5-12(4)15-10-13-7-6-8-14(9-13)16-11(2)3/h6-9,11-12,15H,5,10H2,1-4H3/t12-/m1/s1
InChIKeyJWCMEHBEMTYSQB-GFCCVEGCSA-N
XLogP3.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-butan-2-yloxyphenyl)methyl]butan-2-amine
CID 54849222
(2R)-2-[(3-propan-2-yloxyphenyl)methylamino]propan-1-ol
CID 114985581
4-methyl-N-[(3-propan-2-yloxyphenyl)methyl]pentan-2-amine
CID 61210556
1-phenyl-N-[(3-propan-2-yloxyphenyl)methyl]propan-2-amine
CID 63011929
(2R)-N-[(3-ethoxyphenyl)methyl]butan-2-amine
CID 40726178
(2S)-N-[(4-propan-2-yloxyphenyl)methyl]butan-2-amine
CID 39245142
ethyl 2-[(3-propan-2-yloxyphenyl)methylamino]propanoate
CID 61498264
methyl 2-[(3-propan-2-yloxyphenyl)methylamino]propanoate
CID 54959179
1-phenyl-N-[(3-propan-2-yloxyphenyl)methyl]methanamine
CID 39357787
(2S)-N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]butan-2-amine
CID 29186893
(1R)-1-(4-methylphenyl)-N-[(3-propan-2-yloxyphenyl)methyl]ethanamine
CID 81347473
(1R)-1-cyclopentyl-N-[(3-propan-2-yloxyphenyl)methyl]ethanamine
CID 81394417

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(3-propan-2-yloxyphenyl)methyl]butan-2-amine?
The IUPAC name of (2R)-N-[(3-propan-2-yloxyphenyl)methyl]butan-2-amine (CID 39245134) is (2R)-N-[(3-propan-2-yloxyphenyl)methyl]butan-2-amine.
What is the SMILES notation for (2R)-N-[(3-propan-2-yloxyphenyl)methyl]butan-2-amine?
The canonical SMILES for (2R)-N-[(3-propan-2-yloxyphenyl)methyl]butan-2-amine is CC[C@@H](C)NCc1cccc(OC(C)C)c1.
What is the InChIKey of (2R)-N-[(3-propan-2-yloxyphenyl)methyl]butan-2-amine?
The InChIKey is JWCMEHBEMTYSQB-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H23NO/c1-5-12(4)15-10-13-7-6-8-14(9-13)16-11(2)3/h6-9,11-12,15H,5,10H2,1-4H3/t12-/m1/s1.
What are the key properties of (2R)-N-[(3-propan-2-yloxyphenyl)methyl]butan-2-amine?
(2R)-N-[(3-propan-2-yloxyphenyl)methyl]butan-2-amine has a molecular weight of 221.34 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(3-propan-2-yloxyphenyl)methyl]butan-2-amine is sourced from PubChem (CID 39245134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).