4-(N-ethyl-3-methylanilino)-2-methyl-2-(propan-2-ylamino)pentan-1-ol

C18H32N2O — CID 64825867

IUPAC4-(N-ethyl-3-methylanilino)-2-methyl-2-(propan-2-ylamino)pentan-1-ol
SMILESCCN(c1cccc(C)c1)C(C)CC(C)(CO)NC(C)C
InChIInChI=1S/C18H32N2O/c1-7-20(17-10-8-9-15(4)11-17)16(5)12-18(6,13-21)19-14(2)3/h8-11,14,16,19,21H,7,12-13H2,1-6H3
InChIKeyQQHADWYMMCZURE-UHFFFAOYSA-N
MW292.47 g/mol
LogP3.35
Rot. Bonds8

About 4-(N-ethyl-3-methylanilino)-2-methyl-2-(propan-2-ylamino)pentan-1-ol

4-(N-ethyl-3-methylanilino)-2-methyl-2-(propan-2-ylamino)pentan-1-ol (PubChem CID 64825867) has the molecular formula C18H32N2O and a molecular weight of 292.47 g/mol. Its IUPAC name is 4-(N-ethyl-3-methylanilino)-2-methyl-2-(propan-2-ylamino)pentan-1-ol.

Molecular Properties

Compound Name4-(N-ethyl-3-methylanilino)-2-methyl-2-(propan-2-ylamino)pentan-1-ol
PubChem CID64825867
Molecular FormulaC18H32N2O
Molecular Weight292.47 g/mol
Exact Mass292.25
IUPAC Name4-(N-ethyl-3-methylanilino)-2-methyl-2-(propan-2-ylamino)pentan-1-ol
SMILESCCN(c1cccc(C)c1)C(C)CC(C)(CO)NC(C)C
InChIInChI=1S/C18H32N2O/c1-7-20(17-10-8-9-15(4)11-17)16(5)12-18(6,13-21)19-14(2)3/h8-11,14,16,19,21H,7,12-13H2,1-6H3
InChIKeyQQHADWYMMCZURE-UHFFFAOYSA-N
XLogP3.35
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-ethyl-1-N-(2-methylbutan-2-yl)-2-N-(3-methylphenyl)propane-1,2-diamine
CID 63502531
2-(ethylamino)-4-(N-ethyl-3-methylanilino)-2-methylpentanamide
CID 64711772
1-(N-ethyl-3-methylanilino)propan-1-ol
CID 21331015
2-(cyclopropylamino)-3-(N-ethyl-3-methylanilino)-2-methylpropan-1-ol
CID 64826466
3-(N-ethyl-3-fluoroanilino)-2-methyl-2-(propan-2-ylamino)propan-1-ol
CID 64827300
1-N-cyclopentyl-2-N-ethyl-2-N-(3-methylphenyl)propane-1,2-diamine
CID 62570686
2-N-ethyl-2-N-(3-methylphenyl)-1-N-pentan-2-ylpropane-1,2-diamine
CID 63502872
3-(N,3-dimethylanilino)-2-(ethylamino)-2-methylpropan-1-ol
CID 64792128
2-(3-methylphenyl)-2-(propan-2-ylamino)propan-1-ol
CID 61308364
2-[1-(N-ethyl-3-methylanilino)ethyl]phenol
CID 82981948
3-(N-ethyl-3-methylanilino)-2,2-dimethylpropan-1-ol
CID 62272248
N-[1-(N-ethyl-3-methylanilino)ethyl]methanesulfonamide
CID 101321416

Frequently Asked Questions

What is the IUPAC name of 4-(N-ethyl-3-methylanilino)-2-methyl-2-(propan-2-ylamino)pentan-1-ol?
The IUPAC name of 4-(N-ethyl-3-methylanilino)-2-methyl-2-(propan-2-ylamino)pentan-1-ol (CID 64825867) is 4-(N-ethyl-3-methylanilino)-2-methyl-2-(propan-2-ylamino)pentan-1-ol.
What is the SMILES notation for 4-(N-ethyl-3-methylanilino)-2-methyl-2-(propan-2-ylamino)pentan-1-ol?
The canonical SMILES for 4-(N-ethyl-3-methylanilino)-2-methyl-2-(propan-2-ylamino)pentan-1-ol is CCN(c1cccc(C)c1)C(C)CC(C)(CO)NC(C)C.
What is the InChIKey of 4-(N-ethyl-3-methylanilino)-2-methyl-2-(propan-2-ylamino)pentan-1-ol?
The InChIKey is QQHADWYMMCZURE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O/c1-7-20(17-10-8-9-15(4)11-17)16(5)12-18(6,13-21)19-14(2)3/h8-11,14,16,19,21H,7,12-13H2,1-6H3.
What are the key properties of 4-(N-ethyl-3-methylanilino)-2-methyl-2-(propan-2-ylamino)pentan-1-ol?
4-(N-ethyl-3-methylanilino)-2-methyl-2-(propan-2-ylamino)pentan-1-ol has a molecular weight of 292.47 g/mol, XLogP of 3.35, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(N-ethyl-3-methylanilino)-2-methyl-2-(propan-2-ylamino)pentan-1-ol is sourced from PubChem (CID 64825867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).