(2R)-3-methyl-N-[(1R)-1-phenylpropyl]butan-2-amine

C14H23N — CID 29012459

IUPAC(2R)-3-methyl-N-[(1R)-1-phenylpropyl]butan-2-amine
SMILESCC[C@@H](N[C@H](C)C(C)C)c1ccccc1
InChIInChI=1S/C14H23N/c1-5-14(15-12(4)11(2)3)13-9-7-6-8-10-13/h6-12,14-15H,5H2,1-4H3/t12-,14-/m1/s1
InChIKeyPBCHIRJGYSQWII-TZMCWYRMSA-N
MW205.35 g/mol
LogP3.77
Rot. Bonds5

About (2R)-3-methyl-N-[(1R)-1-phenylpropyl]butan-2-amine

(2R)-3-methyl-N-[(1R)-1-phenylpropyl]butan-2-amine (PubChem CID 29012459) has the molecular formula C14H23N and a molecular weight of 205.35 g/mol. Its IUPAC name is (2R)-3-methyl-N-[(1R)-1-phenylpropyl]butan-2-amine.

Molecular Properties

Compound Name(2R)-3-methyl-N-[(1R)-1-phenylpropyl]butan-2-amine
PubChem CID29012459
Molecular FormulaC14H23N
Molecular Weight205.35 g/mol
Exact Mass205.18
IUPAC Name(2R)-3-methyl-N-[(1R)-1-phenylpropyl]butan-2-amine
SMILESCC[C@@H](N[C@H](C)C(C)C)c1ccccc1
InChIInChI=1S/C14H23N/c1-5-14(15-12(4)11(2)3)13-9-7-6-8-10-13/h6-12,14-15H,5H2,1-4H3/t12-,14-/m1/s1
InChIKeyPBCHIRJGYSQWII-TZMCWYRMSA-N
XLogP3.77
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.35
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-1-phenyl-N-propan-2-ylpropan-1-amine
CID 14387504
1-phenyl-2-(1-phenylpropylamino)propan-1-ol
CID 12999293
1-phenyl-N-[(1S)-1-phenylethyl]propan-1-amine
CID 78956018
N-[1-(3-chlorophenyl)propyl]-3-methylbutan-2-amine
CID 43131327
1-phenyl-N-[1-(4-propan-2-ylphenyl)ethyl]propan-1-amine
CID 43712916
(2S)-2-(1-phenylpropylamino)propanoic acid
CID 90916236
(1S)-N-iodo-1-phenylpropan-1-amine
CID 87207146
N-(1-cyclopropylethyl)-1-phenylpropan-1-amine
CID 43533329
1-(4-methylphenyl)-N-[(1R)-1-phenylethyl]propan-1-amine
CID 81351883
(2R)-2-[[(1S)-1-phenylpropyl]amino]butan-1-ol
CID 28723478
N-(1,1-difluoropropan-2-yl)-1-phenylbutan-1-amine
CID 102868679
1-(4-bromophenyl)-N-[(1R)-1-phenylethyl]propan-1-amine
CID 81350988

Frequently Asked Questions

What is the IUPAC name of (2R)-3-methyl-N-[(1R)-1-phenylpropyl]butan-2-amine?
The IUPAC name of (2R)-3-methyl-N-[(1R)-1-phenylpropyl]butan-2-amine (CID 29012459) is (2R)-3-methyl-N-[(1R)-1-phenylpropyl]butan-2-amine.
What is the SMILES notation for (2R)-3-methyl-N-[(1R)-1-phenylpropyl]butan-2-amine?
The canonical SMILES for (2R)-3-methyl-N-[(1R)-1-phenylpropyl]butan-2-amine is CC[C@@H](N[C@H](C)C(C)C)c1ccccc1.
What is the InChIKey of (2R)-3-methyl-N-[(1R)-1-phenylpropyl]butan-2-amine?
The InChIKey is PBCHIRJGYSQWII-TZMCWYRMSA-N. The full InChI is InChI=1S/C14H23N/c1-5-14(15-12(4)11(2)3)13-9-7-6-8-10-13/h6-12,14-15H,5H2,1-4H3/t12-,14-/m1/s1.
What are the key properties of (2R)-3-methyl-N-[(1R)-1-phenylpropyl]butan-2-amine?
(2R)-3-methyl-N-[(1R)-1-phenylpropyl]butan-2-amine has a molecular weight of 205.35 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-methyl-N-[(1R)-1-phenylpropyl]butan-2-amine is sourced from PubChem (CID 29012459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).