1-(4-bromophenyl)-3-[cyclobutylmethyl(ethyl)amino]propan-1-ol

C16H24BrNO — CID 107401727

IUPAC1-(4-bromophenyl)-3-[cyclobutylmethyl(ethyl)amino]propan-1-ol
SMILESCCN(CCC(O)c1ccc(Br)cc1)CC1CCC1
InChIInChI=1S/C16H24BrNO/c1-2-18(12-13-4-3-5-13)11-10-16(19)14-6-8-15(17)9-7-14/h6-9,13,16,19H,2-5,10-12H2,1H3
InChIKeyQRFNTPKLNPZVIR-UHFFFAOYSA-N
MW326.28 g/mol
LogP3.99
Rot. Bonds7

About 1-(4-bromophenyl)-3-[cyclobutylmethyl(ethyl)amino]propan-1-ol

1-(4-bromophenyl)-3-[cyclobutylmethyl(ethyl)amino]propan-1-ol (PubChem CID 107401727) has the molecular formula C16H24BrNO and a molecular weight of 326.28 g/mol. Its IUPAC name is 1-(4-bromophenyl)-3-[cyclobutylmethyl(ethyl)amino]propan-1-ol.

Molecular Properties

Compound Name1-(4-bromophenyl)-3-[cyclobutylmethyl(ethyl)amino]propan-1-ol
PubChem CID107401727
Molecular FormulaC16H24BrNO
Molecular Weight326.28 g/mol
Exact Mass325.10
IUPAC Name1-(4-bromophenyl)-3-[cyclobutylmethyl(ethyl)amino]propan-1-ol
SMILESCCN(CCC(O)c1ccc(Br)cc1)CC1CCC1
InChIInChI=1S/C16H24BrNO/c1-2-18(12-13-4-3-5-13)11-10-16(19)14-6-8-15(17)9-7-14/h6-9,13,16,19H,2-5,10-12H2,1H3
InChIKeyQRFNTPKLNPZVIR-UHFFFAOYSA-N
XLogP3.99
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.28
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[cyclopropylmethyl(ethyl)amino]-1-(4-methylphenyl)propan-1-ol
CID 63940446
1-(4-bromophenyl)-N'-(cyclopropylmethyl)-N'-ethylpropane-1,3-diamine
CID 63957100
3-[bis(2-methylpropyl)amino]-1-(4-bromophenyl)propan-1-ol
CID 63487544
1-(4-chlorophenyl)-N'-(cyclobutylmethyl)-N'-ethylpropane-1,3-diamine
CID 107401589
N'-(cyclobutylmethyl)-N'-ethyl-N-methyl-1-(4-methylphenyl)propane-1,3-diamine
CID 107401665
1-(4-bromophenyl)-3-[methyl-(2-methylcyclohexyl)amino]propan-1-ol
CID 62617810
1-(4-chlorophenyl)-N'-(cyclobutylmethyl)-N,N'-diethylpropane-1,3-diamine
CID 107401588
1-(4-bromophenyl)-3-[methyl(oxan-4-yl)amino]propan-1-ol
CID 62618821
1-(4-aminophenyl)-2-[cyclopropylmethyl(ethyl)amino]ethanol
CID 63954700
1-(3-bromophenyl)-3-[cyclohexylmethyl(methyl)amino]propan-1-ol
CID 62618495
1-(4-bromophenyl)-3-(N-ethyl-4-methylanilino)propan-1-ol
CID 63488227
1-(3-chlorophenyl)-N'-(cyclobutylmethyl)-N'-ethylpropane-1,3-diamine
CID 107401696

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-3-[cyclobutylmethyl(ethyl)amino]propan-1-ol?
The IUPAC name of 1-(4-bromophenyl)-3-[cyclobutylmethyl(ethyl)amino]propan-1-ol (CID 107401727) is 1-(4-bromophenyl)-3-[cyclobutylmethyl(ethyl)amino]propan-1-ol.
What is the SMILES notation for 1-(4-bromophenyl)-3-[cyclobutylmethyl(ethyl)amino]propan-1-ol?
The canonical SMILES for 1-(4-bromophenyl)-3-[cyclobutylmethyl(ethyl)amino]propan-1-ol is CCN(CCC(O)c1ccc(Br)cc1)CC1CCC1.
What is the InChIKey of 1-(4-bromophenyl)-3-[cyclobutylmethyl(ethyl)amino]propan-1-ol?
The InChIKey is QRFNTPKLNPZVIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrNO/c1-2-18(12-13-4-3-5-13)11-10-16(19)14-6-8-15(17)9-7-14/h6-9,13,16,19H,2-5,10-12H2,1H3.
What are the key properties of 1-(4-bromophenyl)-3-[cyclobutylmethyl(ethyl)amino]propan-1-ol?
1-(4-bromophenyl)-3-[cyclobutylmethyl(ethyl)amino]propan-1-ol has a molecular weight of 326.28 g/mol, XLogP of 3.99, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-3-[cyclobutylmethyl(ethyl)amino]propan-1-ol is sourced from PubChem (CID 107401727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).