3-amino-1-[3-[(2-chloro-6-ethylphenyl)methoxy]phenyl]propan-1-ol

C18H22ClNO2 — CID 130373215

IUPAC3-amino-1-[3-[(2-chloro-6-ethylphenyl)methoxy]phenyl]propan-1-ol
SMILESCCc1cccc(Cl)c1COc1cccc(C(O)CCN)c1
InChIInChI=1S/C18H22ClNO2/c1-2-13-5-4-8-17(19)16(13)12-22-15-7-3-6-14(11-15)18(21)9-10-20/h3-8,11,18,21H,2,9-10,12,20H2,1H3
InChIKeyMPFKCLPULVDBPS-UHFFFAOYSA-N
MW319.83 g/mol
LogP3.86
Rot. Bonds7

About 3-amino-1-[3-[(2-chloro-6-ethylphenyl)methoxy]phenyl]propan-1-ol

3-amino-1-[3-[(2-chloro-6-ethylphenyl)methoxy]phenyl]propan-1-ol (PubChem CID 130373215) has the molecular formula C18H22ClNO2 and a molecular weight of 319.83 g/mol. Its IUPAC name is 3-amino-1-[3-[(2-chloro-6-ethylphenyl)methoxy]phenyl]propan-1-ol.

Molecular Properties

Compound Name3-amino-1-[3-[(2-chloro-6-ethylphenyl)methoxy]phenyl]propan-1-ol
PubChem CID130373215
Molecular FormulaC18H22ClNO2
Molecular Weight319.83 g/mol
Exact Mass319.13
IUPAC Name3-amino-1-[3-[(2-chloro-6-ethylphenyl)methoxy]phenyl]propan-1-ol
SMILESCCc1cccc(Cl)c1COc1cccc(C(O)CCN)c1
InChIInChI=1S/C18H22ClNO2/c1-2-13-5-4-8-17(19)16(13)12-22-15-7-3-6-14(11-15)18(21)9-10-20/h3-8,11,18,21H,2,9-10,12,20H2,1H3
InChIKeyMPFKCLPULVDBPS-UHFFFAOYSA-N
XLogP3.86
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.83
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-1-(3-ethoxyphenyl)propan-1-ol
CID 79135598
3-[3-[(2,6-dichlorophenyl)methoxy]phenyl]-3-methoxypropan-1-amine
CID 170001010
3-amino-1-(3-octoxyphenyl)propan-1-ol
CID 130373075
4-[3-(3-amino-1-hydroxypropyl)phenoxy]butanal;methanamine
CID 143786000
3-amino-1-[3-(2-methoxy-2-propylpentoxy)phenyl]propan-1-ol
CID 170002029
(1R)-1-[3-[(2,3-dichlorophenyl)methoxy]phenyl]ethanol
CID 107094586
1-[3-[(2-methoxyphenyl)methoxy]phenyl]butan-1-ol
CID 69097467
1-[3-[(2-chloro-6-nitrophenyl)methoxy]phenyl]ethanol
CID 63745649
3-amino-1-[3-(2-phenylmethoxypropoxy)phenyl]propan-1-ol
CID 67317385
1-[[3-(3-amino-1-hydroxypropyl)phenoxy]methyl]cyclobutan-1-ol
CID 130373177
(1R)-3-amino-1-[3-(cyclohexylmethoxy)phenyl]propan-1-ol;ethane
CID 143785909
(1S)-1-[4-[(2,6-dichlorophenyl)methoxy]phenyl]propan-1-ol
CID 63532785

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[3-[(2-chloro-6-ethylphenyl)methoxy]phenyl]propan-1-ol?
The IUPAC name of 3-amino-1-[3-[(2-chloro-6-ethylphenyl)methoxy]phenyl]propan-1-ol (CID 130373215) is 3-amino-1-[3-[(2-chloro-6-ethylphenyl)methoxy]phenyl]propan-1-ol.
What is the SMILES notation for 3-amino-1-[3-[(2-chloro-6-ethylphenyl)methoxy]phenyl]propan-1-ol?
The canonical SMILES for 3-amino-1-[3-[(2-chloro-6-ethylphenyl)methoxy]phenyl]propan-1-ol is CCc1cccc(Cl)c1COc1cccc(C(O)CCN)c1.
What is the InChIKey of 3-amino-1-[3-[(2-chloro-6-ethylphenyl)methoxy]phenyl]propan-1-ol?
The InChIKey is MPFKCLPULVDBPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClNO2/c1-2-13-5-4-8-17(19)16(13)12-22-15-7-3-6-14(11-15)18(21)9-10-20/h3-8,11,18,21H,2,9-10,12,20H2,1H3.
What are the key properties of 3-amino-1-[3-[(2-chloro-6-ethylphenyl)methoxy]phenyl]propan-1-ol?
3-amino-1-[3-[(2-chloro-6-ethylphenyl)methoxy]phenyl]propan-1-ol has a molecular weight of 319.83 g/mol, XLogP of 3.86, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[3-[(2-chloro-6-ethylphenyl)methoxy]phenyl]propan-1-ol is sourced from PubChem (CID 130373215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).