(4R)-4-[(4-methylphenyl)methylamino]pentan-1-ol

C13H21NO — CID 97051524

IUPAC(4R)-4-[(4-methylphenyl)methylamino]pentan-1-ol
SMILESCc1ccc(CN[C@H](C)CCCO)cc1
InChIInChI=1S/C13H21NO/c1-11-5-7-13(8-6-11)10-14-12(2)4-3-9-15/h5-8,12,14-15H,3-4,9-10H2,1-2H3/t12-/m1/s1
InChIKeyJUCMDAOCKKAQGV-GFCCVEGCSA-N
MW207.32 g/mol
LogP2.25
Rot. Bonds6

About (4R)-4-[(4-methylphenyl)methylamino]pentan-1-ol

(4R)-4-[(4-methylphenyl)methylamino]pentan-1-ol (PubChem CID 97051524) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is (4R)-4-[(4-methylphenyl)methylamino]pentan-1-ol.

Molecular Properties

Compound Name(4R)-4-[(4-methylphenyl)methylamino]pentan-1-ol
PubChem CID97051524
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name(4R)-4-[(4-methylphenyl)methylamino]pentan-1-ol
SMILESCc1ccc(CN[C@H](C)CCCO)cc1
InChIInChI=1S/C13H21NO/c1-11-5-7-13(8-6-11)10-14-12(2)4-3-9-15/h5-8,12,14-15H,3-4,9-10H2,1-2H3/t12-/m1/s1
InChIKeyJUCMDAOCKKAQGV-GFCCVEGCSA-N
XLogP2.25
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(benzylamino)pentan-1-ol
CID 75356500
4-[(3-methylphenyl)methylamino]pentan-1-ol
CID 75356495
(4R)-4-[(3-methylphenyl)methylamino]pentan-1-ol
CID 97051534
4-[3-[(4-methylphenyl)methylamino]butyl]phenol
CID 43196100
(4S)-4-(4-methylanilino)pentan-1-ol
CID 94830686
3-[(4-phenylphenyl)methylamino]butan-1-ol
CID 78998247
(4S)-4-(pyridin-3-ylmethylamino)pentan-1-ol
CID 97051697
4-[2-[(4-methylphenyl)methylamino]propyl]phenol
CID 78943624
(3R)-3-[(4-methylsulfanylphenyl)methylamino]butan-1-ol
CID 103854632
4-(3-methylphenyl)-N-[(4-methylphenyl)methyl]butan-2-amine
CID 63420838
4-[[[(2R)-4-hydroxybutan-2-yl]amino]methyl]benzonitrile
CID 103854827
3-[(3-methylphenyl)methylamino]butan-1-ol
CID 78997783

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[(4-methylphenyl)methylamino]pentan-1-ol?
The IUPAC name of (4R)-4-[(4-methylphenyl)methylamino]pentan-1-ol (CID 97051524) is (4R)-4-[(4-methylphenyl)methylamino]pentan-1-ol.
What is the SMILES notation for (4R)-4-[(4-methylphenyl)methylamino]pentan-1-ol?
The canonical SMILES for (4R)-4-[(4-methylphenyl)methylamino]pentan-1-ol is Cc1ccc(CN[C@H](C)CCCO)cc1.
What is the InChIKey of (4R)-4-[(4-methylphenyl)methylamino]pentan-1-ol?
The InChIKey is JUCMDAOCKKAQGV-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H21NO/c1-11-5-7-13(8-6-11)10-14-12(2)4-3-9-15/h5-8,12,14-15H,3-4,9-10H2,1-2H3/t12-/m1/s1.
What are the key properties of (4R)-4-[(4-methylphenyl)methylamino]pentan-1-ol?
(4R)-4-[(4-methylphenyl)methylamino]pentan-1-ol has a molecular weight of 207.32 g/mol, XLogP of 2.25, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[(4-methylphenyl)methylamino]pentan-1-ol is sourced from PubChem (CID 97051524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).