2-[[(4-tert-butylphenyl)methyl-methylamino]methyl]butan-1-ol

C17H29NO — CID 115250873

IUPAC2-[[(4-tert-butylphenyl)methyl-methylamino]methyl]butan-1-ol
SMILESCCC(CO)CN(C)Cc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C17H29NO/c1-6-14(13-19)11-18(5)12-15-7-9-16(10-8-15)17(2,3)4/h7-10,14,19H,6,11-13H2,1-5H3
InChIKeyLJBGSHQPQWPUQP-UHFFFAOYSA-N
MW263.43 g/mol
LogP3.43
Rot. Bonds6

About 2-[[(4-tert-butylphenyl)methyl-methylamino]methyl]butan-1-ol

2-[[(4-tert-butylphenyl)methyl-methylamino]methyl]butan-1-ol (PubChem CID 115250873) has the molecular formula C17H29NO and a molecular weight of 263.43 g/mol. Its IUPAC name is 2-[[(4-tert-butylphenyl)methyl-methylamino]methyl]butan-1-ol.

Molecular Properties

Compound Name2-[[(4-tert-butylphenyl)methyl-methylamino]methyl]butan-1-ol
PubChem CID115250873
Molecular FormulaC17H29NO
Molecular Weight263.43 g/mol
Exact Mass263.22
IUPAC Name2-[[(4-tert-butylphenyl)methyl-methylamino]methyl]butan-1-ol
SMILESCCC(CO)CN(C)Cc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C17H29NO/c1-6-14(13-19)11-18(5)12-15-7-9-16(10-8-15)17(2,3)4/h7-10,14,19H,6,11-13H2,1-5H3
InChIKeyLJBGSHQPQWPUQP-UHFFFAOYSA-N
XLogP3.43
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(4-Tert-butylphenyl)-2-methylpropyl]piperidin-4-ol
CID 13607663
2-[2-Hydroxyethyl-[(4-methylphenyl)methyl]amino]ethanol
CID 4219208
(1-Benzylpiperidin-4-yl)methanol
CID 736802
3-(N-Benzyl-N-methylamino)propan-1-ol
CID 79884
2-[(4-tert-Butylphenyl)methyl]-3-piperidin-1-ylpropan-1-ol
CID 139594270
2-Methyl-2-[4-(2-methyl-3-piperidin-1-ylpropyl)phenyl]propan-1-ol
CID 139596448
3-[(4-Biphenylylmethyl)amino]-1-propanol hydrochloride
CID 2967742
[1-[(4-Phenylphenyl)methyl]piperidin-3-yl]methanol
CID 2842874
3-(Dibenzylamino)-1-propanol
CID 4437007
(1-Benzylpyrrolidin-3-yl)methanol
CID 5176654
2-[Benzyl(3-cyclohexen-1-ylmethyl)amino]ethanol
CID 2846085
2-[(2S)-4-methyl-1-[(4-phenylphenyl)methyl]piperazin-2-yl]ethanol
CID 90655535

Frequently Asked Questions

What is the IUPAC name of 2-[[(4-tert-butylphenyl)methyl-methylamino]methyl]butan-1-ol?
The IUPAC name of 2-[[(4-tert-butylphenyl)methyl-methylamino]methyl]butan-1-ol (CID 115250873) is 2-[[(4-tert-butylphenyl)methyl-methylamino]methyl]butan-1-ol.
What is the SMILES notation for 2-[[(4-tert-butylphenyl)methyl-methylamino]methyl]butan-1-ol?
The canonical SMILES for 2-[[(4-tert-butylphenyl)methyl-methylamino]methyl]butan-1-ol is CCC(CO)CN(C)Cc1ccc(C(C)(C)C)cc1.
What is the InChIKey of 2-[[(4-tert-butylphenyl)methyl-methylamino]methyl]butan-1-ol?
The InChIKey is LJBGSHQPQWPUQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-6-14(13-19)11-18(5)12-15-7-9-16(10-8-15)17(2,3)4/h7-10,14,19H,6,11-13H2,1-5H3.
What are the key properties of 2-[[(4-tert-butylphenyl)methyl-methylamino]methyl]butan-1-ol?
2-[[(4-tert-butylphenyl)methyl-methylamino]methyl]butan-1-ol has a molecular weight of 263.43 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(4-tert-butylphenyl)methyl-methylamino]methyl]butan-1-ol is sourced from PubChem (CID 115250873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).