(2R)-1-[(4-tert-butylphenyl)methylamino]propan-2-ol

C14H23NO — CID 39244971

IUPAC(2R)-1-[(4-tert-butylphenyl)methylamino]propan-2-ol
SMILESC[C@@H](O)CNCc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C14H23NO/c1-11(16)9-15-10-12-5-7-13(8-6-12)14(2,3)4/h5-8,11,15-16H,9-10H2,1-4H3/t11-/m1/s1
InChIKeyWNVDRJODWJWSPF-LLVKDONJSA-N
MW221.34 g/mol
LogP2.45
Rot. Bonds4

About (2R)-1-[(4-tert-butylphenyl)methylamino]propan-2-ol

(2R)-1-[(4-tert-butylphenyl)methylamino]propan-2-ol (PubChem CID 39244971) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is (2R)-1-[(4-tert-butylphenyl)methylamino]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[(4-tert-butylphenyl)methylamino]propan-2-ol
PubChem CID39244971
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name(2R)-1-[(4-tert-butylphenyl)methylamino]propan-2-ol
SMILESC[C@@H](O)CNCc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C14H23NO/c1-11(16)9-15-10-12-5-7-13(8-6-12)14(2,3)4/h5-8,11,15-16H,9-10H2,1-4H3/t11-/m1/s1
InChIKeyWNVDRJODWJWSPF-LLVKDONJSA-N
XLogP2.45
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(4-tert-butylphenyl)methylamino]-3-methylbutan-1-ol
CID 66090620
1-[(4-methylphenyl)methylamino]propan-2-ol;hydrochloride
CID 17290382
N-[(4-tert-butylphenyl)methyl]-2,2-difluoroethanamine
CID 115405867
1-[(4-propan-2-ylphenyl)methylamino]propan-2-ol
CID 4723365
1-N-[(4-tert-butylphenyl)methyl]-2-N,2-N-dimethylpropane-1,2-diamine
CID 54913292
(2S)-1-(benzylamino)propan-2-ol
CID 964914
1-[2-[(4-tert-butylphenyl)methyl]prop-2-enylamino]propan-2-ol
CID 155908446
1-[(4-chlorophenyl)methylamino]propan-2-ol;hydrochloride
CID 17290383
2-hydroxy-1-[4-[(2-hydroxypropylamino)methyl]phenyl]-2-methylpropan-1-one
CID 68742963
(2R,3R)-4-[(4-tert-butylphenyl)methylamino]-2,3-dihydroxybutanoic acid
CID 166393862
1-[[2-(4-tert-butylphenyl)-2-hydroxyethyl]amino]propan-2-ol
CID 82313601
N-[(4-tert-butylphenyl)methyl]-2,2-dimethoxyethanamine
CID 44668483

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(4-tert-butylphenyl)methylamino]propan-2-ol?
The IUPAC name of (2R)-1-[(4-tert-butylphenyl)methylamino]propan-2-ol (CID 39244971) is (2R)-1-[(4-tert-butylphenyl)methylamino]propan-2-ol.
What is the SMILES notation for (2R)-1-[(4-tert-butylphenyl)methylamino]propan-2-ol?
The canonical SMILES for (2R)-1-[(4-tert-butylphenyl)methylamino]propan-2-ol is C[C@@H](O)CNCc1ccc(C(C)(C)C)cc1.
What is the InChIKey of (2R)-1-[(4-tert-butylphenyl)methylamino]propan-2-ol?
The InChIKey is WNVDRJODWJWSPF-LLVKDONJSA-N. The full InChI is InChI=1S/C14H23NO/c1-11(16)9-15-10-12-5-7-13(8-6-12)14(2,3)4/h5-8,11,15-16H,9-10H2,1-4H3/t11-/m1/s1.
What are the key properties of (2R)-1-[(4-tert-butylphenyl)methylamino]propan-2-ol?
(2R)-1-[(4-tert-butylphenyl)methylamino]propan-2-ol has a molecular weight of 221.34 g/mol, XLogP of 2.45, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(4-tert-butylphenyl)methylamino]propan-2-ol is sourced from PubChem (CID 39244971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).