(4R)-4-[(3-methylphenyl)methylamino]pentan-1-ol

C13H21NO — CID 97051534

IUPAC(4R)-4-[(3-methylphenyl)methylamino]pentan-1-ol
SMILESCc1cccc(CN[C@H](C)CCCO)c1
InChIInChI=1S/C13H21NO/c1-11-5-3-7-13(9-11)10-14-12(2)6-4-8-15/h3,5,7,9,12,14-15H,4,6,8,10H2,1-2H3/t12-/m1/s1
InChIKeySZKHIOZGUIJVLX-GFCCVEGCSA-N
MW207.32 g/mol
LogP2.25
Rot. Bonds6

About (4R)-4-[(3-methylphenyl)methylamino]pentan-1-ol

(4R)-4-[(3-methylphenyl)methylamino]pentan-1-ol (PubChem CID 97051534) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is (4R)-4-[(3-methylphenyl)methylamino]pentan-1-ol.

Molecular Properties

Compound Name(4R)-4-[(3-methylphenyl)methylamino]pentan-1-ol
PubChem CID97051534
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name(4R)-4-[(3-methylphenyl)methylamino]pentan-1-ol
SMILESCc1cccc(CN[C@H](C)CCCO)c1
InChIInChI=1S/C13H21NO/c1-11-5-3-7-13(9-11)10-14-12(2)6-4-8-15/h3,5,7,9,12,14-15H,4,6,8,10H2,1-2H3/t12-/m1/s1
InChIKeySZKHIOZGUIJVLX-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-[(3-methylphenyl)methylamino]pentan-1-ol
CID 75356495
3-[(3-methylphenyl)methylamino]butan-1-ol
CID 78997783
4-(benzylamino)pentan-1-ol
CID 75356500
(4R)-4-[(4-methylphenyl)methylamino]pentan-1-ol
CID 97051524
N-benzyl-4-(3-methylphenyl)butan-2-amine
CID 61170329
N-[(3-methylphenyl)methyl]-4-methylsulfinylbutan-2-amine
CID 115688195
4-(3-methylphenyl)-N-[(4-methylphenyl)methyl]butan-2-amine
CID 63420838
(4R)-4-(3-methylanilino)pentan-1-ol
CID 94830689
(4S)-4-(pyridin-3-ylmethylamino)pentan-1-ol
CID 97051697
4,4-dimethyl-3-[(3-methylphenyl)methylamino]pentan-1-ol
CID 103949947
3-[(3-fluorophenyl)methylamino]butan-1-ol
CID 78997881
(3R)-3-[(3-bromophenyl)methylamino]butan-1-ol
CID 103854762

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[(3-methylphenyl)methylamino]pentan-1-ol?
The IUPAC name of (4R)-4-[(3-methylphenyl)methylamino]pentan-1-ol (CID 97051534) is (4R)-4-[(3-methylphenyl)methylamino]pentan-1-ol.
What is the SMILES notation for (4R)-4-[(3-methylphenyl)methylamino]pentan-1-ol?
The canonical SMILES for (4R)-4-[(3-methylphenyl)methylamino]pentan-1-ol is Cc1cccc(CN[C@H](C)CCCO)c1.
What is the InChIKey of (4R)-4-[(3-methylphenyl)methylamino]pentan-1-ol?
The InChIKey is SZKHIOZGUIJVLX-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H21NO/c1-11-5-3-7-13(9-11)10-14-12(2)6-4-8-15/h3,5,7,9,12,14-15H,4,6,8,10H2,1-2H3/t12-/m1/s1.
What are the key properties of (4R)-4-[(3-methylphenyl)methylamino]pentan-1-ol?
(4R)-4-[(3-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-[(3-methylphenyl)methylamino]pentan-1-ol is sourced from PubChem (CID 97051534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).