(4S)-4-(4-methylanilino)pentan-1-ol

C12H19NO — CID 94830686

IUPAC(4S)-4-(4-methylanilino)pentan-1-ol
SMILESCc1ccc(N[C@@H](C)CCCO)cc1
InChIInChI=1S/C12H19NO/c1-10-5-7-12(8-6-10)13-11(2)4-3-9-14/h5-8,11,13-14H,3-4,9H2,1-2H3/t11-/m0/s1
InChIKeyITUFJFXRAFVVRY-NSHDSACASA-N
MW193.29 g/mol
LogP2.57
Rot. Bonds5

About (4S)-4-(4-methylanilino)pentan-1-ol

(4S)-4-(4-methylanilino)pentan-1-ol (PubChem CID 94830686) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is (4S)-4-(4-methylanilino)pentan-1-ol.

Molecular Properties

Compound Name(4S)-4-(4-methylanilino)pentan-1-ol
PubChem CID94830686
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name(4S)-4-(4-methylanilino)pentan-1-ol
SMILESCc1ccc(N[C@@H](C)CCCO)cc1
InChIInChI=1S/C12H19NO/c1-10-5-7-12(8-6-10)13-11(2)4-3-9-14/h5-8,11,13-14H,3-4,9H2,1-2H3/t11-/m0/s1
InChIKeyITUFJFXRAFVVRY-NSHDSACASA-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

Analyze (4S)-4-(4-methylanilino)pentan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[4-(dimethylamino)anilino]pentan-1-ol
CID 115976111
(4R)-4-(3-methylanilino)pentan-1-ol
CID 94830689
4-(2,5-dimethylanilino)pentan-1-ol
CID 115976106
(4R)-4-[(4-methylphenyl)methylamino]pentan-1-ol
CID 97051524
4-(5-hydroxypentan-2-ylamino)-2-methylbenzonitrile
CID 81279649
4-(2-fluoro-5-methylanilino)pentan-1-ol
CID 115976054
N-hex-5-en-2-yl-4-methylaniline
CID 75525041
2-N-(4-methylphenyl)propane-1,2-diamine
CID 12693167
4-(4-ethyl-3-fluoroanilino)pentan-1-ol
CID 115976008
4-(3-chloroanilino)pentan-1-ol
CID 115975852
1-N,4-N-bis[(2R)-nonan-2-yl]benzene-1,4-diamine
CID 98160565
1-N,4-N-bis(5-methylhexan-2-yl)benzene-1,4-diamine
CID 159136598

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(4-methylanilino)pentan-1-ol?
The IUPAC name of (4S)-4-(4-methylanilino)pentan-1-ol (CID 94830686) is (4S)-4-(4-methylanilino)pentan-1-ol.
What is the SMILES notation for (4S)-4-(4-methylanilino)pentan-1-ol?
The canonical SMILES for (4S)-4-(4-methylanilino)pentan-1-ol is Cc1ccc(N[C@@H](C)CCCO)cc1.
What is the InChIKey of (4S)-4-(4-methylanilino)pentan-1-ol?
The InChIKey is ITUFJFXRAFVVRY-NSHDSACASA-N. The full InChI is InChI=1S/C12H19NO/c1-10-5-7-12(8-6-10)13-11(2)4-3-9-14/h5-8,11,13-14H,3-4,9H2,1-2H3/t11-/m0/s1.
What are the key properties of (4S)-4-(4-methylanilino)pentan-1-ol?
(4S)-4-(4-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 (4S)-4-(4-methylanilino)pentan-1-ol is sourced from PubChem (CID 94830686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).