3-[(N-phenylanilino)methyl]pentan-3-ol

C18H23NO — CID 10707105

IUPAC3-[(N-phenylanilino)methyl]pentan-3-ol
SMILESCCC(O)(CC)CN(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H23NO/c1-3-18(20,4-2)15-19(16-11-7-5-8-12-16)17-13-9-6-10-14-17/h5-14,20H,3-4,15H2,1-2H3
InChIKeyNNHQFGWGPCUGTJ-UHFFFAOYSA-N
MW269.39 g/mol
LogP4.38
Rot. Bonds6

About 3-[(N-phenylanilino)methyl]pentan-3-ol

3-[(N-phenylanilino)methyl]pentan-3-ol (PubChem CID 10707105) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is 3-[(N-phenylanilino)methyl]pentan-3-ol.

Molecular Properties

Compound Name3-[(N-phenylanilino)methyl]pentan-3-ol
PubChem CID10707105
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name3-[(N-phenylanilino)methyl]pentan-3-ol
SMILESCCC(O)(CC)CN(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H23NO/c1-3-18(20,4-2)15-19(16-11-7-5-8-12-16)17-13-9-6-10-14-17/h5-14,20H,3-4,15H2,1-2H3
InChIKeyNNHQFGWGPCUGTJ-UHFFFAOYSA-N
XLogP4.38
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-Propanol, 1,1'-(phenylimino)bis-
CID 76498
3-(Diphenylamino)propane-1,2-diol
CID 2836165
2-Propanol, 1-diphenylamino-
CID 98335
1-Propanaminium, 3-(diphenylamino)-2-hydroxy-N,N-dimethyl-N-(1-methylethyl)-, iodide, (+-)-
CID 3064865
2-(Diphenylamino)ethanol
CID 80586
1-(Dimethylamino)-3-(diphenylamino)propan-2-ol
CID 3405105
1-Diphenylamino-3-[(2-hydroxy-ethyl)-methyl-amino]-propan-2-ol
CID 16681812
4-((Phenylamino)methyl)piperidin-4-ol
CID 56773843
Benzenemethanaminium, N,N-bis(2-hydroxyethyl)-N-phenyl-, chloride (1:1)
CID 44150548
1-(N-phenylanilino)butan-2-ol
CID 4122647
1-[Bis-(2-hydroxy-ethyl)-amino]-3-diphenylamino-propan-2-ol
CID 16681804
(2-Hydroxy-ethyl)-dimethyl-phenyl-ammonium
CID 44335202

Frequently Asked Questions

What is the IUPAC name of 3-[(N-phenylanilino)methyl]pentan-3-ol?
The IUPAC name of 3-[(N-phenylanilino)methyl]pentan-3-ol (CID 10707105) is 3-[(N-phenylanilino)methyl]pentan-3-ol.
What is the SMILES notation for 3-[(N-phenylanilino)methyl]pentan-3-ol?
The canonical SMILES for 3-[(N-phenylanilino)methyl]pentan-3-ol is CCC(O)(CC)CN(c1ccccc1)c1ccccc1.
What is the InChIKey of 3-[(N-phenylanilino)methyl]pentan-3-ol?
The InChIKey is NNHQFGWGPCUGTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-3-18(20,4-2)15-19(16-11-7-5-8-12-16)17-13-9-6-10-14-17/h5-14,20H,3-4,15H2,1-2H3.
What are the key properties of 3-[(N-phenylanilino)methyl]pentan-3-ol?
3-[(N-phenylanilino)methyl]pentan-3-ol has a molecular weight of 269.39 g/mol, XLogP of 4.38, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(N-phenylanilino)methyl]pentan-3-ol is sourced from PubChem (CID 10707105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).