3-[butan-2-yl(butyl)amino]phenol

C14H23NO — CID 67927782

IUPAC3-[butan-2-yl(butyl)amino]phenol
SMILESCCCCN(c1cccc(O)c1)C(C)CC
InChIInChI=1S/C14H23NO/c1-4-6-10-15(12(3)5-2)13-8-7-9-14(16)11-13/h7-9,11-12,16H,4-6,10H2,1-3H3
InChIKeyIIDWQVQGZYWDMX-UHFFFAOYSA-N
MW221.34 g/mol
LogP3.80
Rot. Bonds6

About 3-[butan-2-yl(butyl)amino]phenol

3-[butan-2-yl(butyl)amino]phenol (PubChem CID 67927782) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 3-[butan-2-yl(butyl)amino]phenol.

Molecular Properties

Compound Name3-[butan-2-yl(butyl)amino]phenol
PubChem CID67927782
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name3-[butan-2-yl(butyl)amino]phenol
SMILESCCCCN(c1cccc(O)c1)C(C)CC
InChIInChI=1S/C14H23NO/c1-4-6-10-15(12(3)5-2)13-8-7-9-14(16)11-13/h7-9,11-12,16H,4-6,10H2,1-3H3
InChIKeyIIDWQVQGZYWDMX-UHFFFAOYSA-N
XLogP3.80
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[1-(N-butylanilino)ethyl]phenol
CID 82980304
3-(dioctylamino)phenol
CID 15734569
3-(N-hexadecylanilino)phenol
CID 21083116
5-[butan-2-yl(butyl)amino]-2-[1-(ethylamino)ethyl]phenol
CID 79590746
4-(2-aminopropyl)-N-butan-2-yl-N-butylaniline
CID 55235076
2-(N-ethyl-3-hydroxyanilino)propanoic acid
CID 107736740
4-(aminomethyl)-N-butan-2-yl-N-butyl-3-methylaniline
CID 55038784
6-[butan-2-yl(butyl)amino]-3-hydroxy-1-methyl-3H-indol-2-one
CID 81301771
4-(1-aminoethyl)-N-butan-2-yl-N-butylaniline
CID 55005473
2-ethyl-N-(3-hydroxyphenyl)-N-methylhexanamide
CID 107735712
ethyl 2-amino-5-[butan-2-yl(butyl)amino]benzoate
CID 63423618
tert-butyl N-butyl-N-(3-hydroxyphenyl)carbamate
CID 125116625

Frequently Asked Questions

What is the IUPAC name of 3-[butan-2-yl(butyl)amino]phenol?
The IUPAC name of 3-[butan-2-yl(butyl)amino]phenol (CID 67927782) is 3-[butan-2-yl(butyl)amino]phenol.
What is the SMILES notation for 3-[butan-2-yl(butyl)amino]phenol?
The canonical SMILES for 3-[butan-2-yl(butyl)amino]phenol is CCCCN(c1cccc(O)c1)C(C)CC.
What is the InChIKey of 3-[butan-2-yl(butyl)amino]phenol?
The InChIKey is IIDWQVQGZYWDMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-4-6-10-15(12(3)5-2)13-8-7-9-14(16)11-13/h7-9,11-12,16H,4-6,10H2,1-3H3.
What are the key properties of 3-[butan-2-yl(butyl)amino]phenol?
3-[butan-2-yl(butyl)amino]phenol has a molecular weight of 221.34 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[butan-2-yl(butyl)amino]phenol is sourced from PubChem (CID 67927782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).