1-(2-amino-4-butoxyanilino)-2-methylpropan-2-ol

C14H24N2O2 — CID 162498763

IUPAC1-(2-amino-4-butoxyanilino)-2-methylpropan-2-ol
SMILESCCCCOc1ccc(NCC(C)(C)O)c(N)c1
InChIInChI=1S/C14H24N2O2/c1-4-5-8-18-11-6-7-13(12(15)9-11)16-10-14(2,3)17/h6-7,9,16-17H,4-5,8,10,15H2,1-3H3
InChIKeyODQFADOIHZXSNA-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.63
Rot. Bonds7

About 1-(2-amino-4-butoxyanilino)-2-methylpropan-2-ol

1-(2-amino-4-butoxyanilino)-2-methylpropan-2-ol (PubChem CID 162498763) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 1-(2-amino-4-butoxyanilino)-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-(2-amino-4-butoxyanilino)-2-methylpropan-2-ol
PubChem CID162498763
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name1-(2-amino-4-butoxyanilino)-2-methylpropan-2-ol
SMILESCCCCOc1ccc(NCC(C)(C)O)c(N)c1
InChIInChI=1S/C14H24N2O2/c1-4-5-8-18-11-6-7-13(12(15)9-11)16-10-14(2,3)17/h6-7,9,16-17H,4-5,8,10,15H2,1-3H3
InChIKeyODQFADOIHZXSNA-UHFFFAOYSA-N
XLogP2.63
TPSA67.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-N-butyl-4-[3-(diethylamino)propoxy]benzene-1,2-diamine
CID 69267318
1-(2-amino-4-methoxyanilino)-4-methoxy-2-methylbutan-2-ol
CID 114164064
4-heptoxybenzene-1,2-diamine
CID 54795786
1-(3-amino-5-propoxyanilino)-2-methylpropan-2-ol
CID 80735376
2-methyl-4-nonoxyaniline
CID 43128997
(2-amino-5-butoxyphenyl)boronic acid
CID 68784035
N-[3-amino-4-[(2-hydroxy-2-methylpropyl)amino]phenyl]-2,2-dimethylbutanamide
CID 89411567
2-amino-N-(2-hydroxy-2-methylpropyl)-5-(2-methoxyethoxy)benzamide
CID 70098352
1-[2-amino-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)anilino]-2-methylpropan-2-ol
CID 171734939
3-[(4-butoxy-2-methylphenyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid
CID 122077403
tert-butyl 2-[3-amino-4-(methylamino)phenoxy]acetate
CID 171627438
2-methoxy-5-octoxyaniline
CID 103201140

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-4-butoxyanilino)-2-methylpropan-2-ol?
The IUPAC name of 1-(2-amino-4-butoxyanilino)-2-methylpropan-2-ol (CID 162498763) is 1-(2-amino-4-butoxyanilino)-2-methylpropan-2-ol.
What is the SMILES notation for 1-(2-amino-4-butoxyanilino)-2-methylpropan-2-ol?
The canonical SMILES for 1-(2-amino-4-butoxyanilino)-2-methylpropan-2-ol is CCCCOc1ccc(NCC(C)(C)O)c(N)c1.
What is the InChIKey of 1-(2-amino-4-butoxyanilino)-2-methylpropan-2-ol?
The InChIKey is ODQFADOIHZXSNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-4-5-8-18-11-6-7-13(12(15)9-11)16-10-14(2,3)17/h6-7,9,16-17H,4-5,8,10,15H2,1-3H3.
What are the key properties of 1-(2-amino-4-butoxyanilino)-2-methylpropan-2-ol?
1-(2-amino-4-butoxyanilino)-2-methylpropan-2-ol has a molecular weight of 252.36 g/mol, XLogP of 2.63, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-4-butoxyanilino)-2-methylpropan-2-ol is sourced from PubChem (CID 162498763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).