N-[(2-chloro-5-ethoxy-4-methoxyphenyl)methyl]butan-2-amine

C14H22ClNO2 — CID 66532430

IUPACN-[(2-chloro-5-ethoxy-4-methoxyphenyl)methyl]butan-2-amine
SMILESCCOc1cc(CNC(C)CC)c(Cl)cc1OC
InChIInChI=1S/C14H22ClNO2/c1-5-10(3)16-9-11-7-14(18-6-2)13(17-4)8-12(11)15/h7-8,10,16H,5-6,9H2,1-4H3
InChIKeyQNFIWWVHFFHFHV-UHFFFAOYSA-N
MW271.79 g/mol
LogP3.64
Rot. Bonds7

About N-[(2-chloro-5-ethoxy-4-methoxyphenyl)methyl]butan-2-amine

N-[(2-chloro-5-ethoxy-4-methoxyphenyl)methyl]butan-2-amine (PubChem CID 66532430) has the molecular formula C14H22ClNO2 and a molecular weight of 271.79 g/mol. Its IUPAC name is N-[(2-chloro-5-ethoxy-4-methoxyphenyl)methyl]butan-2-amine.

Molecular Properties

Compound NameN-[(2-chloro-5-ethoxy-4-methoxyphenyl)methyl]butan-2-amine
PubChem CID66532430
Molecular FormulaC14H22ClNO2
Molecular Weight271.79 g/mol
Exact Mass271.13
IUPAC NameN-[(2-chloro-5-ethoxy-4-methoxyphenyl)methyl]butan-2-amine
SMILESCCOc1cc(CNC(C)CC)c(Cl)cc1OC
InChIInChI=1S/C14H22ClNO2/c1-5-10(3)16-9-11-7-14(18-6-2)13(17-4)8-12(11)15/h7-8,10,16H,5-6,9H2,1-4H3
InChIKeyQNFIWWVHFFHFHV-UHFFFAOYSA-N
XLogP3.64
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.79
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-chloro-4,5-dimethoxyphenyl)methyl]butan-2-amine
CID 54855338
N-[(2-chloro-5-methoxy-4-propoxyphenyl)methyl]butan-2-amine
CID 66530974
N-[(2-chloro-5-ethoxy-4-propan-2-yloxyphenyl)methyl]butan-2-amine
CID 66532416
N-[[2-chloro-4-[(2,6-dichlorophenyl)methoxy]-5-ethoxyphenyl]methyl]butan-2-amine
CID 66531772
1-[(2-chloro-5-ethoxy-4-methoxyphenyl)methylamino]propan-2-ol
CID 66532396
N-[(2-chloro-5-ethoxy-4-methoxyphenyl)methyl]-3-methylbutan-1-amine
CID 66532371
2-[(2-chloro-4-ethoxy-5-methoxyphenyl)methylamino]-4-methylpentanoic acid
CID 66530968
2-[(2-chloro-4,5-diethoxyphenyl)methylamino]butan-1-ol
CID 66532485
N-[(2-chloro-5-ethoxy-4-methoxyphenyl)methyl]cyclooctanamine
CID 66532495
(2S)-N-[(3-chloro-5-ethoxy-4-methoxyphenyl)methyl]butan-2-amine
CID 40726527
N-[(2-chloro-4-ethoxy-5-methoxyphenyl)methyl]prop-2-en-1-amine
CID 66530458
N-[[2-bromo-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methyl]butan-2-amine
CID 66532650

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-5-ethoxy-4-methoxyphenyl)methyl]butan-2-amine?
The IUPAC name of N-[(2-chloro-5-ethoxy-4-methoxyphenyl)methyl]butan-2-amine (CID 66532430) is N-[(2-chloro-5-ethoxy-4-methoxyphenyl)methyl]butan-2-amine.
What is the SMILES notation for N-[(2-chloro-5-ethoxy-4-methoxyphenyl)methyl]butan-2-amine?
The canonical SMILES for N-[(2-chloro-5-ethoxy-4-methoxyphenyl)methyl]butan-2-amine is CCOc1cc(CNC(C)CC)c(Cl)cc1OC.
What is the InChIKey of N-[(2-chloro-5-ethoxy-4-methoxyphenyl)methyl]butan-2-amine?
The InChIKey is QNFIWWVHFFHFHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClNO2/c1-5-10(3)16-9-11-7-14(18-6-2)13(17-4)8-12(11)15/h7-8,10,16H,5-6,9H2,1-4H3.
What are the key properties of N-[(2-chloro-5-ethoxy-4-methoxyphenyl)methyl]butan-2-amine?
N-[(2-chloro-5-ethoxy-4-methoxyphenyl)methyl]butan-2-amine has a molecular weight of 271.79 g/mol, XLogP of 3.64, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-5-ethoxy-4-methoxyphenyl)methyl]butan-2-amine is sourced from PubChem (CID 66532430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).