1-[2-[(tert-butylamino)methyl]-3-chlorophenoxy]-3-ethoxypropan-2-ol

C16H26ClNO3 — CID 114319870

IUPAC1-[2-[(tert-butylamino)methyl]-3-chlorophenoxy]-3-ethoxypropan-2-ol
SMILESCCOCC(O)COc1cccc(Cl)c1CNC(C)(C)C
InChIInChI=1S/C16H26ClNO3/c1-5-20-10-12(19)11-21-15-8-6-7-14(17)13(15)9-18-16(2,3)4/h6-8,12,18-19H,5,9-11H2,1-4H3
InChIKeyQRFJWMKVNJFROD-UHFFFAOYSA-N
MW315.84 g/mol
LogP3.00
Rot. Bonds8

About 1-[2-[(tert-butylamino)methyl]-3-chlorophenoxy]-3-ethoxypropan-2-ol

1-[2-[(tert-butylamino)methyl]-3-chlorophenoxy]-3-ethoxypropan-2-ol (PubChem CID 114319870) has the molecular formula C16H26ClNO3 and a molecular weight of 315.84 g/mol. Its IUPAC name is 1-[2-[(tert-butylamino)methyl]-3-chlorophenoxy]-3-ethoxypropan-2-ol.

Molecular Properties

Compound Name1-[2-[(tert-butylamino)methyl]-3-chlorophenoxy]-3-ethoxypropan-2-ol
PubChem CID114319870
Molecular FormulaC16H26ClNO3
Molecular Weight315.84 g/mol
Exact Mass315.16
IUPAC Name1-[2-[(tert-butylamino)methyl]-3-chlorophenoxy]-3-ethoxypropan-2-ol
SMILESCCOCC(O)COc1cccc(Cl)c1CNC(C)(C)C
InChIInChI=1S/C16H26ClNO3/c1-5-20-10-12(19)11-21-15-8-6-7-14(17)13(15)9-18-16(2,3)4/h6-8,12,18-19H,5,9-11H2,1-4H3
InChIKeyQRFJWMKVNJFROD-UHFFFAOYSA-N
XLogP3.00
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.84
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-chloro-2-(methylaminomethyl)phenoxy]-3-(2-methoxyethoxy)propan-2-ol
CID 106988840
N-[(2-butoxy-6-chlorophenyl)methyl]-2-methylpropan-2-amine
CID 113276749
1-[3-chloro-2-[(2-methoxyethylamino)methyl]phenoxy]-3-methoxypropan-2-ol
CID 114320203
1-(tert-butylamino)-3-(3-chloro-2-fluorophenoxy)propan-2-ol
CID 116688883
1-[[2-[(tert-butylamino)methyl]-6-methyl-3-pyridinyl]oxy]-3-ethoxypropan-2-ol
CID 79158303
1-[4-[(tert-butylamino)methyl]-2-fluorophenoxy]-3-ethoxypropan-2-ol
CID 107688365
N-[[2-(2-bromoprop-2-enoxy)-6-chlorophenyl]methyl]-2-methylpropan-2-amine
CID 114319778
N-[[2-chloro-6-(4-chlorophenoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 63553109
4-[2-[(tert-butylamino)methyl]-3-chlorophenoxy]butanenitrile
CID 114319867
3-[2-[(tert-butylamino)methyl]-3-chlorophenoxy]propanamide
CID 114319843
methyl 2-[2-[(tert-butylamino)methyl]-3-chlorophenoxy]propanoate
CID 114319806
N-[[2-chloro-6-(3-chlorophenoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 63552561

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(tert-butylamino)methyl]-3-chlorophenoxy]-3-ethoxypropan-2-ol?
The IUPAC name of 1-[2-[(tert-butylamino)methyl]-3-chlorophenoxy]-3-ethoxypropan-2-ol (CID 114319870) is 1-[2-[(tert-butylamino)methyl]-3-chlorophenoxy]-3-ethoxypropan-2-ol.
What is the SMILES notation for 1-[2-[(tert-butylamino)methyl]-3-chlorophenoxy]-3-ethoxypropan-2-ol?
The canonical SMILES for 1-[2-[(tert-butylamino)methyl]-3-chlorophenoxy]-3-ethoxypropan-2-ol is CCOCC(O)COc1cccc(Cl)c1CNC(C)(C)C.
What is the InChIKey of 1-[2-[(tert-butylamino)methyl]-3-chlorophenoxy]-3-ethoxypropan-2-ol?
The InChIKey is QRFJWMKVNJFROD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26ClNO3/c1-5-20-10-12(19)11-21-15-8-6-7-14(17)13(15)9-18-16(2,3)4/h6-8,12,18-19H,5,9-11H2,1-4H3.
What are the key properties of 1-[2-[(tert-butylamino)methyl]-3-chlorophenoxy]-3-ethoxypropan-2-ol?
1-[2-[(tert-butylamino)methyl]-3-chlorophenoxy]-3-ethoxypropan-2-ol has a molecular weight of 315.84 g/mol, XLogP of 3.00, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(tert-butylamino)methyl]-3-chlorophenoxy]-3-ethoxypropan-2-ol is sourced from PubChem (CID 114319870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).