(4R)-4-(3-methylanilino)pentan-1-ol

C12H19NO — CID 94830689

IUPAC(4R)-4-(3-methylanilino)pentan-1-ol
SMILESCc1cccc(N[C@H](C)CCCO)c1
InChIInChI=1S/C12H19NO/c1-10-5-3-7-12(9-10)13-11(2)6-4-8-14/h3,5,7,9,11,13-14H,4,6,8H2,1-2H3/t11-/m1/s1
InChIKeyCZNBQUOPNBRGEB-LLVKDONJSA-N
MW193.29 g/mol
LogP2.57
Rot. Bonds5

About (4R)-4-(3-methylanilino)pentan-1-ol

(4R)-4-(3-methylanilino)pentan-1-ol (PubChem CID 94830689) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is (4R)-4-(3-methylanilino)pentan-1-ol.

Molecular Properties

Compound Name(4R)-4-(3-methylanilino)pentan-1-ol
PubChem CID94830689
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name(4R)-4-(3-methylanilino)pentan-1-ol
SMILESCc1cccc(N[C@H](C)CCCO)c1
InChIInChI=1S/C12H19NO/c1-10-5-3-7-12(9-10)13-11(2)6-4-8-14/h3,5,7,9,11,13-14H,4,6,8H2,1-2H3/t11-/m1/s1
InChIKeyCZNBQUOPNBRGEB-LLVKDONJSA-N
XLogP2.57
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3-chloroanilino)pentan-1-ol
CID 115975852
(4S)-4-(4-methylanilino)pentan-1-ol
CID 94830686
4-[3-(methoxymethyl)anilino]pentan-1-ol
CID 115975845
(4R)-4-[(3-methylphenyl)methylamino]pentan-1-ol
CID 97051534
4-[(3-methylphenyl)methylamino]pentan-1-ol
CID 75356495
4-(2,5-dimethylanilino)pentan-1-ol
CID 115976106
4-(3-bromo-2-methylanilino)pentan-1-ol
CID 115976130
4-(2-fluoro-5-methylanilino)pentan-1-ol
CID 115976054
4-(5-hydroxypentan-2-ylamino)-2-methylbenzonitrile
CID 81279649
(2S)-2-(3-methylanilino)propanoic acid
CID 7148356
2-bromo-4-(5-hydroxypentan-2-ylamino)benzoic acid
CID 107282200
2-(3-methylanilino)octan-1-ol
CID 61049186

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(3-methylanilino)pentan-1-ol?
The IUPAC name of (4R)-4-(3-methylanilino)pentan-1-ol (CID 94830689) is (4R)-4-(3-methylanilino)pentan-1-ol.
What is the SMILES notation for (4R)-4-(3-methylanilino)pentan-1-ol?
The canonical SMILES for (4R)-4-(3-methylanilino)pentan-1-ol is Cc1cccc(N[C@H](C)CCCO)c1.
What is the InChIKey of (4R)-4-(3-methylanilino)pentan-1-ol?
The InChIKey is CZNBQUOPNBRGEB-LLVKDONJSA-N. The full InChI is InChI=1S/C12H19NO/c1-10-5-3-7-12(9-10)13-11(2)6-4-8-14/h3,5,7,9,11,13-14H,4,6,8H2,1-2H3/t11-/m1/s1.
What are the key properties of (4R)-4-(3-methylanilino)pentan-1-ol?
(4R)-4-(3-methylanilino)pentan-1-ol has a molecular weight of 193.29 g/mol, XLogP of 2.57, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(3-methylanilino)pentan-1-ol is sourced from PubChem (CID 94830689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).