N-[(5-chloro-2-methoxyphenyl)methyl]-2-methylpentan-3-amine

C14H22ClNO — CID 54955057

IUPACN-[(5-chloro-2-methoxyphenyl)methyl]-2-methylpentan-3-amine
SMILESCCC(NCc1cc(Cl)ccc1OC)C(C)C
InChIInChI=1S/C14H22ClNO/c1-5-13(10(2)3)16-9-11-8-12(15)6-7-14(11)17-4/h6-8,10,13,16H,5,9H2,1-4H3
InChIKeyUUNLKLHEUVMEEJ-UHFFFAOYSA-N
MW255.79 g/mol
LogP3.87
Rot. Bonds6

About N-[(5-chloro-2-methoxyphenyl)methyl]-2-methylpentan-3-amine

N-[(5-chloro-2-methoxyphenyl)methyl]-2-methylpentan-3-amine (PubChem CID 54955057) has the molecular formula C14H22ClNO and a molecular weight of 255.79 g/mol. Its IUPAC name is N-[(5-chloro-2-methoxyphenyl)methyl]-2-methylpentan-3-amine.

Molecular Properties

Compound NameN-[(5-chloro-2-methoxyphenyl)methyl]-2-methylpentan-3-amine
PubChem CID54955057
Molecular FormulaC14H22ClNO
Molecular Weight255.79 g/mol
Exact Mass255.14
IUPAC NameN-[(5-chloro-2-methoxyphenyl)methyl]-2-methylpentan-3-amine
SMILESCCC(NCc1cc(Cl)ccc1OC)C(C)C
InChIInChI=1S/C14H22ClNO/c1-5-13(10(2)3)16-9-11-8-12(15)6-7-14(11)17-4/h6-8,10,13,16H,5,9H2,1-4H3
InChIKeyUUNLKLHEUVMEEJ-UHFFFAOYSA-N
XLogP3.87
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.79
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-chloro-N-[(5-chloro-2-methoxyphenyl)methyl]-3-methylbutan-2-amine
CID 79245397
N-[(5-chloro-2-fluorophenyl)methyl]-2-methylpentan-3-amine
CID 114842197
N-[(5-chloro-2-methoxyphenyl)methyl]hexan-3-amine
CID 62117809
N-[(5-chloro-2-methoxyphenyl)methyl]-1-methoxypropan-2-amine
CID 43410849
(2R)-2-[(5-chloro-2-methoxyphenyl)methylamino]propanoic acid
CID 51690857
1-(5-chloro-2-methoxyphenyl)-4-methyl-N-propylpentan-3-amine
CID 63400119
N-[(5-chloro-2-methoxyphenyl)methyl]-3-methyl-2-propan-2-ylbutan-1-amine
CID 102904397
1-chloro-N-[(5-chloro-2-methoxyphenyl)methyl]-4-methylpentan-2-amine
CID 65026055
N-[(5-chloro-2-methoxyphenyl)methyl]-3-methylbutan-1-amine
CID 17206959
(2R)-N-[(5-chloro-2-propan-2-yloxyphenyl)methyl]butan-2-amine
CID 51990119
3-[(5-chloro-2-methoxyphenyl)methyl]-N-ethyl-4-methylpentan-2-amine
CID 62916009
2-N-[(5-chloro-2-methoxyphenyl)methyl]-1-N,1-N,4-trimethylpentane-1,2-diamine
CID 61036792

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-2-methoxyphenyl)methyl]-2-methylpentan-3-amine?
The IUPAC name of N-[(5-chloro-2-methoxyphenyl)methyl]-2-methylpentan-3-amine (CID 54955057) is N-[(5-chloro-2-methoxyphenyl)methyl]-2-methylpentan-3-amine.
What is the SMILES notation for N-[(5-chloro-2-methoxyphenyl)methyl]-2-methylpentan-3-amine?
The canonical SMILES for N-[(5-chloro-2-methoxyphenyl)methyl]-2-methylpentan-3-amine is CCC(NCc1cc(Cl)ccc1OC)C(C)C.
What is the InChIKey of N-[(5-chloro-2-methoxyphenyl)methyl]-2-methylpentan-3-amine?
The InChIKey is UUNLKLHEUVMEEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClNO/c1-5-13(10(2)3)16-9-11-8-12(15)6-7-14(11)17-4/h6-8,10,13,16H,5,9H2,1-4H3.
What are the key properties of N-[(5-chloro-2-methoxyphenyl)methyl]-2-methylpentan-3-amine?
N-[(5-chloro-2-methoxyphenyl)methyl]-2-methylpentan-3-amine has a molecular weight of 255.79 g/mol, XLogP of 3.87, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-2-methoxyphenyl)methyl]-2-methylpentan-3-amine is sourced from PubChem (CID 54955057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).