1-(4-amino-3-propoxyanilino)-4-methylpentan-2-ol

C15H26N2O2 — CID 107151168

IUPAC1-(4-amino-3-propoxyanilino)-4-methylpentan-2-ol
SMILESCCCOc1cc(NCC(O)CC(C)C)ccc1N
InChIInChI=1S/C15H26N2O2/c1-4-7-19-15-9-12(5-6-14(15)16)17-10-13(18)8-11(2)3/h5-6,9,11,13,17-18H,4,7-8,10,16H2,1-3H3
InChIKeyBVBQABFZSVFDFF-UHFFFAOYSA-N
MW266.38 g/mol
LogP2.88
Rot. Bonds8

About 1-(4-amino-3-propoxyanilino)-4-methylpentan-2-ol

1-(4-amino-3-propoxyanilino)-4-methylpentan-2-ol (PubChem CID 107151168) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is 1-(4-amino-3-propoxyanilino)-4-methylpentan-2-ol.

Molecular Properties

Compound Name1-(4-amino-3-propoxyanilino)-4-methylpentan-2-ol
PubChem CID107151168
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name1-(4-amino-3-propoxyanilino)-4-methylpentan-2-ol
SMILESCCCOc1cc(NCC(O)CC(C)C)ccc1N
InChIInChI=1S/C15H26N2O2/c1-4-7-19-15-9-12(5-6-14(15)16)17-10-13(18)8-11(2)3/h5-6,9,11,13,17-18H,4,7-8,10,16H2,1-3H3
InChIKeyBVBQABFZSVFDFF-UHFFFAOYSA-N
XLogP2.88
TPSA67.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 52.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(4-amino-3-propan-2-yloxyanilino)-4-methylpentan-2-ol
CID 107151111
4-(4-amino-3-propoxyanilino)butan-2-ol
CID 64928452
1-(4-amino-3-ethoxyanilino)pentan-2-ol
CID 113495527
1-(3-amino-4-methylanilino)-4-methylpentan-2-ol
CID 107151145
1-[(5-amino-6-propoxy-2-pyridinyl)amino]-4-methylpentan-2-ol
CID 107151147
methyl 2-(4-amino-3-propoxyanilino)acetate
CID 63671618
4-N-(3-methylpentan-3-yl)-2-propoxybenzene-1,4-diamine
CID 114174133
4-N-(2-methylsulfanylethyl)-2-propoxybenzene-1,4-diamine
CID 63983761
methyl 3-(4-amino-3-propoxyanilino)propanoate
CID 55232749
2-(4-amino-3-propoxyanilino)-N-methylpropanamide
CID 55232152
4-(4-amino-3-propoxyanilino)butanamide
CID 63671493
4-[2-(4-amino-3-propoxyanilino)ethyl]phenol
CID 63671834

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-3-propoxyanilino)-4-methylpentan-2-ol?
The IUPAC name of 1-(4-amino-3-propoxyanilino)-4-methylpentan-2-ol (CID 107151168) is 1-(4-amino-3-propoxyanilino)-4-methylpentan-2-ol.
What is the SMILES notation for 1-(4-amino-3-propoxyanilino)-4-methylpentan-2-ol?
The canonical SMILES for 1-(4-amino-3-propoxyanilino)-4-methylpentan-2-ol is CCCOc1cc(NCC(O)CC(C)C)ccc1N.
What is the InChIKey of 1-(4-amino-3-propoxyanilino)-4-methylpentan-2-ol?
The InChIKey is BVBQABFZSVFDFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-4-7-19-15-9-12(5-6-14(15)16)17-10-13(18)8-11(2)3/h5-6,9,11,13,17-18H,4,7-8,10,16H2,1-3H3.
What are the key properties of 1-(4-amino-3-propoxyanilino)-4-methylpentan-2-ol?
1-(4-amino-3-propoxyanilino)-4-methylpentan-2-ol has a molecular weight of 266.38 g/mol, XLogP of 2.88, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-3-propoxyanilino)-4-methylpentan-2-ol is sourced from PubChem (CID 107151168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).