2-[(3-chloro-4-methoxyphenyl)methylamino]-2-ethylbutan-1-ol

C14H22ClNO2 — CID 65022002

IUPAC2-[(3-chloro-4-methoxyphenyl)methylamino]-2-ethylbutan-1-ol
SMILESCCC(CC)(CO)NCc1ccc(OC)c(Cl)c1
InChIInChI=1S/C14H22ClNO2/c1-4-14(5-2,10-17)16-9-11-6-7-13(18-3)12(15)8-11/h6-8,16-17H,4-5,9-10H2,1-3H3
InChIKeyCYIZXMOOPYPJBL-UHFFFAOYSA-N
MW271.79 g/mol
LogP2.99
Rot. Bonds7

About 2-[(3-chloro-4-methoxyphenyl)methylamino]-2-ethylbutan-1-ol

2-[(3-chloro-4-methoxyphenyl)methylamino]-2-ethylbutan-1-ol (PubChem CID 65022002) has the molecular formula C14H22ClNO2 and a molecular weight of 271.79 g/mol. Its IUPAC name is 2-[(3-chloro-4-methoxyphenyl)methylamino]-2-ethylbutan-1-ol.

Molecular Properties

Compound Name2-[(3-chloro-4-methoxyphenyl)methylamino]-2-ethylbutan-1-ol
PubChem CID65022002
Molecular FormulaC14H22ClNO2
Molecular Weight271.79 g/mol
Exact Mass271.13
IUPAC Name2-[(3-chloro-4-methoxyphenyl)methylamino]-2-ethylbutan-1-ol
SMILESCCC(CC)(CO)NCc1ccc(OC)c(Cl)c1
InChIInChI=1S/C14H22ClNO2/c1-4-14(5-2,10-17)16-9-11-6-7-13(18-3)12(15)8-11/h6-8,16-17H,4-5,9-10H2,1-3H3
InChIKeyCYIZXMOOPYPJBL-UHFFFAOYSA-N
XLogP2.99
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.79
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-chloro-4-methoxyphenyl)methylamino]-2-ethylpropane-1,3-diol
CID 113248212
[(3-chloro-4-methoxyphenyl)methylamino]methanol
CID 115228943
2-[(2-chloro-6-methoxyphenyl)methylamino]-2-ethylpropane-1,3-diol
CID 107865058
2-[(3-chloro-4-methoxyphenyl)methylamino]-2-methylpropanenitrile
CID 115129256
4-[(3-ethylpentan-3-ylamino)methyl]-2-methoxyphenol
CID 65039215
2-[(3-chlorophenyl)methylamino]-2-ethylbutan-1-ol
CID 62517659
2-ethoxy-4-[[3-(hydroxymethyl)pentan-3-ylamino]methyl]phenol
CID 62518899
1-chloro-2-(chloromethyl)-N-[(3-fluoro-4-methoxyphenyl)methyl]butan-2-amine
CID 107867108
2-[(3-chloro-4-methoxyphenyl)methylamino]-3-methylbutan-1-ol
CID 79254471
N-[(3-chloro-4-methoxyphenyl)methyl]-2-ethyl-2-methylsulfanylbutan-1-amine
CID 103702143
2-ethyl-2-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methylamino]butan-1-ol
CID 62518230
2-chloro-4-[(3-ethylpentan-3-ylamino)methyl]aniline
CID 65040911

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-4-methoxyphenyl)methylamino]-2-ethylbutan-1-ol?
The IUPAC name of 2-[(3-chloro-4-methoxyphenyl)methylamino]-2-ethylbutan-1-ol (CID 65022002) is 2-[(3-chloro-4-methoxyphenyl)methylamino]-2-ethylbutan-1-ol.
What is the SMILES notation for 2-[(3-chloro-4-methoxyphenyl)methylamino]-2-ethylbutan-1-ol?
The canonical SMILES for 2-[(3-chloro-4-methoxyphenyl)methylamino]-2-ethylbutan-1-ol is CCC(CC)(CO)NCc1ccc(OC)c(Cl)c1.
What is the InChIKey of 2-[(3-chloro-4-methoxyphenyl)methylamino]-2-ethylbutan-1-ol?
The InChIKey is CYIZXMOOPYPJBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClNO2/c1-4-14(5-2,10-17)16-9-11-6-7-13(18-3)12(15)8-11/h6-8,16-17H,4-5,9-10H2,1-3H3.
What are the key properties of 2-[(3-chloro-4-methoxyphenyl)methylamino]-2-ethylbutan-1-ol?
2-[(3-chloro-4-methoxyphenyl)methylamino]-2-ethylbutan-1-ol has a molecular weight of 271.79 g/mol, XLogP of 2.99, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloro-4-methoxyphenyl)methylamino]-2-ethylbutan-1-ol is sourced from PubChem (CID 65022002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).