4-[[butan-2-yl(butyl)amino]methyl]-2-chlorophenol

C15H24ClNO — CID 82986375

IUPAC4-[[butan-2-yl(butyl)amino]methyl]-2-chlorophenol
SMILESCCCCN(Cc1ccc(O)c(Cl)c1)C(C)CC
InChIInChI=1S/C15H24ClNO/c1-4-6-9-17(12(3)5-2)11-13-7-8-15(18)14(16)10-13/h7-8,10,12,18H,4-6,9,11H2,1-3H3
InChIKeyMNFQUBCVXXTCJK-UHFFFAOYSA-N
MW269.82 g/mol
LogP4.45
Rot. Bonds7

About 4-[[butan-2-yl(butyl)amino]methyl]-2-chlorophenol

4-[[butan-2-yl(butyl)amino]methyl]-2-chlorophenol (PubChem CID 82986375) has the molecular formula C15H24ClNO and a molecular weight of 269.82 g/mol. Its IUPAC name is 4-[[butan-2-yl(butyl)amino]methyl]-2-chlorophenol.

Molecular Properties

Compound Name4-[[butan-2-yl(butyl)amino]methyl]-2-chlorophenol
PubChem CID82986375
Molecular FormulaC15H24ClNO
Molecular Weight269.82 g/mol
Exact Mass269.15
IUPAC Name4-[[butan-2-yl(butyl)amino]methyl]-2-chlorophenol
SMILESCCCCN(Cc1ccc(O)c(Cl)c1)C(C)CC
InChIInChI=1S/C15H24ClNO/c1-4-6-9-17(12(3)5-2)11-13-7-8-15(18)14(16)10-13/h7-8,10,12,18H,4-6,9,11H2,1-3H3
InChIKeyMNFQUBCVXXTCJK-UHFFFAOYSA-N
XLogP4.45
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.82
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-4-[(dimethylamino)methyl]phenol
CID 4289948
4-[[butan-2-yl(butyl)amino]methyl]-3-chlorobenzoic acid
CID 102669943
4-[[butan-2-yl(butyl)amino]methyl]benzohydrazide
CID 63578262
N-butan-2-yl-N-[[3-[(propan-2-ylamino)methyl]phenyl]methyl]butan-1-amine
CID 63492555
4-[[butan-2-yl(2-methoxyethyl)amino]methyl]-2-methoxyphenol
CID 82986315
2-bromo-4-[[butan-2-yl(2-methoxyethyl)amino]methyl]phenol
CID 82985781
5-[[butan-2-yl(ethyl)amino]methyl]-2-chloroaniline
CID 43274087
N-[(4-bromo-3-nitrophenyl)methyl]-N-butan-2-ylbutan-1-amine
CID 115557705
3-[(3-chloro-4-hydroxyphenyl)methyl-hexylamino]propanenitrile
CID 142099016
2-chloro-4-[3-(3-chloro-4-hydroxyphenyl)propyl]phenol
CID 57252301
2-chloro-4-[[2-[(3,4-dichlorophenyl)methyl-methylamino]ethyl-methylamino]methyl]phenol
CID 142099000
2-chloro-4-[[2-(dimethylamino)ethyl-methylamino]methyl]phenol
CID 82981146

Frequently Asked Questions

What is the IUPAC name of 4-[[butan-2-yl(butyl)amino]methyl]-2-chlorophenol?
The IUPAC name of 4-[[butan-2-yl(butyl)amino]methyl]-2-chlorophenol (CID 82986375) is 4-[[butan-2-yl(butyl)amino]methyl]-2-chlorophenol.
What is the SMILES notation for 4-[[butan-2-yl(butyl)amino]methyl]-2-chlorophenol?
The canonical SMILES for 4-[[butan-2-yl(butyl)amino]methyl]-2-chlorophenol is CCCCN(Cc1ccc(O)c(Cl)c1)C(C)CC.
What is the InChIKey of 4-[[butan-2-yl(butyl)amino]methyl]-2-chlorophenol?
The InChIKey is MNFQUBCVXXTCJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClNO/c1-4-6-9-17(12(3)5-2)11-13-7-8-15(18)14(16)10-13/h7-8,10,12,18H,4-6,9,11H2,1-3H3.
What are the key properties of 4-[[butan-2-yl(butyl)amino]methyl]-2-chlorophenol?
4-[[butan-2-yl(butyl)amino]methyl]-2-chlorophenol has a molecular weight of 269.82 g/mol, XLogP of 4.45, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[butan-2-yl(butyl)amino]methyl]-2-chlorophenol is sourced from PubChem (CID 82986375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).