(2R)-2-[4-(3-methylphenyl)butan-2-ylamino]propan-1-ol

C14H23NO — CID 114987003

IUPAC(2R)-2-[4-(3-methylphenyl)butan-2-ylamino]propan-1-ol
SMILESCc1cccc(CCC(C)N[C@H](C)CO)c1
InChIInChI=1S/C14H23NO/c1-11-5-4-6-14(9-11)8-7-12(2)15-13(3)10-16/h4-6,9,12-13,15-16H,7-8,10H2,1-3H3/t12?,13-/m1/s1
InChIKeyXIYNKCRLNYXZKE-ZGTCLIOFSA-N
MW221.34 g/mol
LogP2.29
Rot. Bonds6

About (2R)-2-[4-(3-methylphenyl)butan-2-ylamino]propan-1-ol

(2R)-2-[4-(3-methylphenyl)butan-2-ylamino]propan-1-ol (PubChem CID 114987003) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is (2R)-2-[4-(3-methylphenyl)butan-2-ylamino]propan-1-ol.

Molecular Properties

Compound Name(2R)-2-[4-(3-methylphenyl)butan-2-ylamino]propan-1-ol
PubChem CID114987003
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name(2R)-2-[4-(3-methylphenyl)butan-2-ylamino]propan-1-ol
SMILESCc1cccc(CCC(C)N[C@H](C)CO)c1
InChIInChI=1S/C14H23NO/c1-11-5-4-6-14(9-11)8-7-12(2)15-13(3)10-16/h4-6,9,12-13,15-16H,7-8,10H2,1-3H3/t12?,13-/m1/s1
InChIKeyXIYNKCRLNYXZKE-ZGTCLIOFSA-N
XLogP2.29
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3-methylphenyl)-N-(1-phenylpropan-2-yl)butan-2-amine
CID 63462088
2-[4-(4-methylphenyl)butan-2-ylamino]propan-1-ol
CID 115724716
4-(3-methylphenyl)-N-[2-(3-methylphenyl)ethyl]butan-2-amine
CID 63477631
4-(3-methylphenyl)-N-(1-phenylpropyl)butan-2-amine
CID 63476581
methyl (2S)-3-methyl-2-[4-(3-methylphenyl)butan-2-ylamino]butanoate
CID 61171503
4-(3-methylphenyl)-N-(2-methylprop-2-enyl)butan-2-amine
CID 114615744
N-benzyl-4-(3-methylphenyl)butan-2-amine
CID 61170329
ethane;methanol;1-methyl-3-(3-methylbutyl)benzene
CID 144705800
N-[(1R)-1-(2-bromophenyl)ethyl]-4-(3-methylphenyl)butan-2-amine
CID 81378024
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-4-(3-methylphenyl)butan-2-amine
CID 63454886
4-(3-methylphenyl)-N-[(4-methylphenyl)methyl]butan-2-amine
CID 63420838
N-[4-(3-methylphenyl)butan-2-yl]cyclopent-3-en-1-amine
CID 115728445

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[4-(3-methylphenyl)butan-2-ylamino]propan-1-ol?
The IUPAC name of (2R)-2-[4-(3-methylphenyl)butan-2-ylamino]propan-1-ol (CID 114987003) is (2R)-2-[4-(3-methylphenyl)butan-2-ylamino]propan-1-ol.
What is the SMILES notation for (2R)-2-[4-(3-methylphenyl)butan-2-ylamino]propan-1-ol?
The canonical SMILES for (2R)-2-[4-(3-methylphenyl)butan-2-ylamino]propan-1-ol is Cc1cccc(CCC(C)N[C@H](C)CO)c1.
What is the InChIKey of (2R)-2-[4-(3-methylphenyl)butan-2-ylamino]propan-1-ol?
The InChIKey is XIYNKCRLNYXZKE-ZGTCLIOFSA-N. The full InChI is InChI=1S/C14H23NO/c1-11-5-4-6-14(9-11)8-7-12(2)15-13(3)10-16/h4-6,9,12-13,15-16H,7-8,10H2,1-3H3/t12?,13-/m1/s1.
What are the key properties of (2R)-2-[4-(3-methylphenyl)butan-2-ylamino]propan-1-ol?
(2R)-2-[4-(3-methylphenyl)butan-2-ylamino]propan-1-ol has a molecular weight of 221.34 g/mol, XLogP of 2.29, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[4-(3-methylphenyl)butan-2-ylamino]propan-1-ol is sourced from PubChem (CID 114987003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).